1,3,4-Oxadiazol-2(3H)-one,5-(4-pyridinyl)-

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Names

[ CAS No. ]:
2845-82-1

[ Name ]:
1,3,4-Oxadiazol-2(3H)-one,5-(4-pyridinyl)-

[Synonym ]:
5-pyridin-4-yl-3H-[1,3,4]oxadiazol-2-one
S 57 (VAN)
5-(4-Pyridyl)-1,3,4-oxadiazol-2-ol
Neovadrine
2-Pyridyl-(4)-1,3,4-oxadiazolon-(5) [German]
1,3,4-OXADIAZOL-2-OL,5-(4-PYRIDINYL)
5-(pyridin-4-yl)-1,3,4-oxadiazol-2(3H)-one
5-[4]Pyridyl-3H-[1,3,4]oxadiazol-2-on
5-(4-Pyridinyl)-1,3,4-oxadiazolin-2-one
5-[4]pyridyl-3H-[1,3,4]oxadiazol-2-one
S 57

Chemical & Physical Properties

[ Density]:
1.53g/cm3

[ Molecular Formula ]:
C7H5N3O2

[ Molecular Weight ]:
163.13300

[ Exact Mass ]:
163.03800

[ PSA ]:
71.78000

[ LogP ]:
0.42490

[ Index of Refraction ]:
1.702

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
RO0905000
CHEMICAL NAME :
1,3,4-Oxadiazol-2-ol, 5-(4-pyridinyl)-
CAS REGISTRY NUMBER :
2845-82-1
BEILSTEIN REFERENCE NO. :
0146642
LAST UPDATED :
199612
DATA ITEMS CITED :
6
MOLECULAR FORMULA :
C7-H5-N3-O2
MOLECULAR WEIGHT :
163.15
WISWESSER LINE NOTATION :
T6NJ D- CT5NN DOJ EQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2 gm/kg
TOXIC EFFECTS :
Behavioral - euphoria
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,22,1962
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
2500 mg/kg
TOXIC EFFECTS :
Behavioral - euphoria
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,22,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
1 gm/kg
TOXIC EFFECTS :
Behavioral - euphoria
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,22,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
400 mg/kg
TOXIC EFFECTS :
Behavioral - euphoria
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,22,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
700 mg/kg
TOXIC EFFECTS :
Behavioral - euphoria
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,22,1962
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
750 mg/kg
TOXIC EFFECTS :
Behavioral - euphoria
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 12,22,1962

Safety Information

[ HS Code ]:
2934999090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • Isoniazid
  • Triphosgene
  • 5-(4-pyridyl)-1,3,4-oxadiazole-2-thiol
  • phosgene
  • N-(1-aza-2-(4-pyridyl)vinyl)(tert-butoxy)carboxamide
  • 1-isonicotinoyl semicarbazide
  • p-Formylpyridine
  • isonicotinoyl-urea
  • Methyl isonicotinate
  • Water

DownStream

  • 1-butyl-3-(pyridine-4-carbonylamino)urea

Customs

[ HS Code ]: 2934999090

[ Summary ]:
2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 1,3,4-Oxadiazol-2(3H)-one,5-(4-pyridinyl)-,hydrazone
  • 1,3,4-OXADIAZOL-2(3H)-ONE, 5-(4-BROMOPHENYL)-
  • 1,3,4-Oxadiazol-2(3H)-one,5-[(4-aminophenyl)methyl]-3-ethyl-(9CI)
  • 1,3,4-Oxadiazol-2(3H)-one,5-(4-ethoxy-3,5-dimethoxyphenyl)-
  • 1,3,4-Oxadiazol-2(3H)-one, 5-(4-ethoxy-3,5-dimethoxyphenyl)-3-(hydroxy methyl)-
  • 5-(4-FLUOROPHENYL)-1,3,4-OXADIAZOL-2(3H)-ONE
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1h-Indazole-1-carboxylic acid,3-(dibromomethyl)-,1,1-dimethylethyl ester
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • (1-benzenesulfonyl-5-chloro-1H-pyrrolo[3,2-b]pyridin-2-yl)-methanol
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • tert-Butyl-DL-alanine