[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

C21H19NO4 — CID 7660613

IUPAC[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19NO4/c1-3-18-20(14(2)26-22-18)21(24)25-13-19(23)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
InChIKeyIIIRMAACDMORBC-UHFFFAOYSA-N
MW349.39 g/mol
LogP4.25
Rot. Bonds6

About [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate

[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (PubChem CID 7660613) has the molecular formula C21H19NO4 and a molecular weight of 349.39 g/mol. Its IUPAC name is [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
PubChem CID7660613
Molecular FormulaC21H19NO4
Molecular Weight349.39 g/mol
Exact Mass349.13
IUPAC Name[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
SMILESCCc1noc(C)c1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C21H19NO4/c1-3-18-20(14(2)26-22-18)21(24)25-13-19(23)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3
InChIKeyIIIRMAACDMORBC-UHFFFAOYSA-N
XLogP4.25
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 4790436
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7561911
[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235300
[2-(3-fluorophenyl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 8676290
[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660597
[2-[benzyl(tert-butyl)amino]-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 55367311
phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 1016479
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 7235331
[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7660611
[2-(3-acetamidoanilino)-2-oxoethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate
CID 7531148
[2-(4-tert-butylphenyl)-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 7501896

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate (CID 7660613) is [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is CCc1noc(C)c1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is IIIRMAACDMORBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO4/c1-3-18-20(14(2)26-22-18)21(24)25-13-19(23)17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12H,3,13H2,1-2H3.
What are the key properties of [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate?
[2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 349.39 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenylphenyl)ethyl] 3-ethyl-5-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 7660613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).