5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole

C19H17NO3 — CID 153320917

IUPAC5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole
SMILESC=Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C19H17NO3/c1-4-17-18(13-5-9-15(21-2)10-6-13)19(20-23-17)14-7-11-16(22-3)12-8-14/h4-12H,1H2,2-3H3
InChIKeyZQNRUUVTMQPTKT-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.67
Rot. Bonds5

About 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole

5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole (PubChem CID 153320917) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole
PubChem CID153320917
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole
SMILESC=Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1
InChIInChI=1S/C19H17NO3/c1-4-17-18(13-5-9-15(21-2)10-6-13)19(20-23-17)14-7-11-16(22-3)12-8-14/h4-12H,1H2,2-3H3
InChIKeyZQNRUUVTMQPTKT-UHFFFAOYSA-N
XLogP4.67
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Mofezolac
CID 4237
3,5-Diphenylisoxazole
CID 137292
5-Methyl-3,4-diphenyl-isoxazole
CID 9991673
Isoxazole, 5-(4-methoxyphenyl)-3-phenyl-
CID 279122
3,4-Diphenyl-5-ethylisoxazole
CID 10377376
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
Methyl 3,5-diphenyl-1,2-oxazole-4-carboxylate
CID 827480
4-(3,4-Dimethoxyphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 853148
4-Ethyl-5-methoxy-2-[4-phenyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]phenol
CID 1402231
3-(4-Methoxyphenyl)-4-(3,4,5-trimethoxyphenyl)-1,2-oxazole
CID 91973763
3-Benzyl-5-phenylisoxazole
CID 849566
6-Methoxy-3-phenylbenzo[d]isoxazole
CID 3286009

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The IUPAC name of 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole (CID 153320917) is 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole.
What is the SMILES notation for 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The canonical SMILES for 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole is C=Cc1onc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1.
What is the InChIKey of 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
The InChIKey is ZQNRUUVTMQPTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-4-17-18(13-5-9-15(21-2)10-6-13)19(20-23-17)14-7-11-16(22-3)12-8-14/h4-12H,1H2,2-3H3.
What are the key properties of 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole?
5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole has a molecular weight of 307.35 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,4-bis(4-methoxyphenyl)-1,2-oxazole is sourced from PubChem (CID 153320917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).