5-Methyl-3,4-diphenylisoxazole

Modify Date: 2025-08-20 18:47:17

5-Methyl-3,4-diphenylisoxazole structure	Common Name	5-Methyl-3,4-diphenylisoxazole
	CAS Number	37928-17-9	Molecular Weight	235.281
	Density	1.1±0.1 g/cm3	Boiling Point	340.1±21.0 °C at 760 mmHg
	Molecular Formula	C₁₆H₁₃NO	Melting Point	96.0 to 100.0 °C
	MSDS	N/A	Flash Point	100.9±9.7 °C

Name	5-Methyl-3,4-diphenylisoxazole
Synonym	More Synonyms

Density	1.1±0.1 g/cm3
Boiling Point	340.1±21.0 °C at 760 mmHg
Melting Point	96.0 to 100.0 °C
Molecular Formula	C₁₆H₁₃NO
Molecular Weight	235.281
Flash Point	100.9±9.7 °C
Exact Mass	235.099716
PSA	26.03000
LogP	3.44
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.580
InChIKey	ZXIRUKJWLADSJS-UHFFFAOYSA-N
SMILES	Cc1onc(-c2ccccc2)c1-c1ccccc1

Hazard Codes	Xn
HS Code	2934999090

Precursor 10
CAS#:26306-06-9 Deoxybenzoin Oxime CAS#:64-19-7 acetic acid CAS#:181696-73-1 4,5-Dihydro-5-m... CAS#:857259-65-5 3,4-diphenyl-5-...
CAS#:873-67-6 benzonitrile oxide CAS#:52201-28-2 1-(1-phenylprop... CAS#:75115-03-6 4-bromo-5-methy... CAS#:698-16-8 Alpha-Chloroben...
CAS#:83152-72-1 (Z)-N,N-diethyl... CAS#:80954-52-5 N,N-diethyl-2,3...
DownStream 5
CAS#:181696-35-5 Valdecoxib Sulf... CAS#:181695-72-7 Valdecoxib CAS#:1373038-56-2 3-(5-methyl-4-P... CAS#:509074-26-4 4-(5-Methyl-3-p...
CAS#:1037546-03-4 2-(5-methyl-3-p...

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

Name: Inhibition of human COX-2
Source: ChEMBL
Target: Prostaglandin G/H synthase 2
External Id: CHEMBL5543915

Name: Selectivity index, ratio of IC50 for human COX-2 to IC50 for ovine COX-1
Source: ChEMBL
Target: N/A
External Id: CHEMBL5543900

Name: In vitro inhibitory concentration against Prostaglandin G/H synthase 2 in human whole...
Source: ChEMBL
Target: Prostaglandin G/H synthase 2
External Id: CHEMBL830991

Name: In vitro inhibitory concentration against Prostaglandin G/H synthase 1 in human whole...
Source: ChEMBL
Target: Prostaglandin G/H synthase 1
External Id: CHEMBL830990

Name: Inhibition of ovine COX-1
Source: ChEMBL
Target: Prostaglandin G/H synthase 1
External Id: CHEMBL5543914

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5-Methyl-3,4-diphenyl-1,2-oxazole

5-Methyl-3,4-diphenyl-isoxazole