3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one

C23H19NO3 — CID 95170020

IUPAC3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one
SMILESCCOc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C23H19NO3/c1-2-26-20-15-13-19(14-16-20)24-21(17-9-5-3-6-10-17)22(27-23(24)25)18-11-7-4-8-12-18/h3-16H,2H2,1H3
InChIKeyNGAJRFJTKIHIRL-UHFFFAOYSA-N
MW357.41 g/mol
LogP5.16
Rot. Bonds5

About 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one

3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one (PubChem CID 95170020) has the molecular formula C23H19NO3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one
PubChem CID95170020
Molecular FormulaC23H19NO3
Molecular Weight357.41 g/mol
Exact Mass357.14
IUPAC Name3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one
SMILESCCOc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)oc2=O)cc1
InChIInChI=1S/C23H19NO3/c1-2-26-20-15-13-19(14-16-20)24-21(17-9-5-3-6-10-17)22(27-23(24)25)18-11-7-4-8-12-18/h3-16H,2H2,1H3
InChIKeyNGAJRFJTKIHIRL-UHFFFAOYSA-N
XLogP5.16
TPSA44.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.41
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-(4-bromophenyl)-5-phenyl-1,3-oxazol-2-one
CID 164684853
1,3-bis(4-ethoxyphenyl)-4,5-diphenylimidazol-1-ium
CID 102107303
2-amino-3-(4-ethoxyphenyl)quinazolin-4-one
CID 71652489
5-(4-ethoxyphenyl)-3,4-diphenyl-1H-imidazole-2-thione
CID 4126193
5-(4-ethoxyphenyl)-3,4-diphenyl-1H-imidazole-2-thione;hydrobromide
CID 45046253
2,6-bis(4-ethoxyphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731134
3-(4-ethoxybenzoyl)-2-phenylchromen-4-one
CID 134910996
2-(4-ethoxyphenyl)-5-phenyl-1H-pyrazol-3-one
CID 107958349
3-[benzyl(ethyl)amino]-1-(4-ethoxyphenyl)-4-phenylpyrrole-2,5-dione
CID 110560882
(3Z)-3-[[1-(4-bromophenyl)-2,5-diphenylpyrrol-3-yl]methylidene]-5-(4-ethoxyphenyl)furan-2-one
CID 98082254
1-(4-ethoxyphenyl)-2,5-dimethylpyrrole-3,4-dicarbaldehyde
CID 21205912
2-[[4-(4-ethoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-methyl-1,3,4-oxadiazole
CID 40559953

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one?
The IUPAC name of 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one (CID 95170020) is 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one is CCOc1ccc(-n2c(-c3ccccc3)c(-c3ccccc3)oc2=O)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one?
The InChIKey is NGAJRFJTKIHIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO3/c1-2-26-20-15-13-19(14-16-20)24-21(17-9-5-3-6-10-17)22(27-23(24)25)18-11-7-4-8-12-18/h3-16H,2H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one?
3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one has a molecular weight of 357.41 g/mol, XLogP of 5.16, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-4,5-diphenyl-1,3-oxazol-2-one is sourced from PubChem (CID 95170020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).