[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C25H19NO4 — CID 7726289

IUPAC[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19NO4/c1-17-21(26-24(29-17)20-15-9-4-10-16-20)25(28)30-23(19-13-7-3-8-14-19)22(27)18-11-5-2-6-12-18/h2-16,23H,1H3/t23-/m0/s1
InChIKeyFQCVNVMNNGYFEV-QHCPKHFHSA-N
MW397.43 g/mol
LogP5.43
Rot. Bonds6

About [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 7726289) has the molecular formula C25H19NO4 and a molecular weight of 397.43 g/mol. Its IUPAC name is [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID7726289
Molecular FormulaC25H19NO4
Molecular Weight397.43 g/mol
Exact Mass397.13
IUPAC Name[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1
InChIInChI=1S/C25H19NO4/c1-17-21(26-24(29-17)20-15-9-4-10-16-20)25(28)30-23(19-13-7-3-8-14-19)22(27)18-11-5-2-6-12-18/h2-16,23H,1H3/t23-/m0/s1
InChIKeyFQCVNVMNNGYFEV-QHCPKHFHSA-N
XLogP5.43
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.43
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727103
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726837
2-oxopropyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 55310658
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 40712351
[2-oxo-2-(4-phenylphenyl)ethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7727475
[1-(4-chlorophenyl)-2-oxo-2-phenylethyl] 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 11837739
[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950257
[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950375
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950136
2,2,2-trifluoroethyl 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 71392848
(2,4,6-trimethylphenyl) 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 30724380
2-hydroxyethyl 5-methyl-2-(4-phenylphenyl)-1,3-oxazole-4-carboxylate
CID 151350857

Frequently Asked Questions

What is the IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 7726289) is [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1.
What is the InChIKey of [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is FQCVNVMNNGYFEV-QHCPKHFHSA-N. The full InChI is InChI=1S/C25H19NO4/c1-17-21(26-24(29-17)20-15-9-4-10-16-20)25(28)30-23(19-13-7-3-8-14-19)22(27)18-11-5-2-6-12-18/h2-16,23H,1H3/t23-/m0/s1.
What are the key properties of [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 397.43 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 7726289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).