[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

C20H16FNO4 — CID 7727103

IUPAC[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO4/c1-12-17(22-19(25-12)15-6-4-3-5-7-15)20(24)26-13(2)18(23)14-8-10-16(21)11-9-14/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyWNLQYJNNKWAVTH-CYBMUJFWSA-N
MW353.35 g/mol
LogP4.22
Rot. Bonds5

About [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate

[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (PubChem CID 7727103) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
PubChem CID7727103
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
SMILESCc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H16FNO4/c1-12-17(22-19(25-12)15-6-4-3-5-7-15)20(24)26-13(2)18(23)14-8-10-16(21)11-9-14/h3-11,13H,1-2H3/t13-/m1/s1
InChIKeyWNLQYJNNKWAVTH-CYBMUJFWSA-N
XLogP4.22
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950375
[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726837
[(1S)-2-oxo-1,2-diphenylethyl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726289
[(2R)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 7726785
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 40712351
[(2R)-1-oxo-1-(2-propan-2-ylanilino)propan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950257
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950136
[(2R)-1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 8950304
(1-oxo-1-phenylpropan-2-yl) 4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzoate
CID 11837743
N-(4-fluorophenyl)-5-methyl-2-phenyl-1,3-oxazole-4-carboxamide
CID 17393566
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-fluorobenzoate
CID 16588676
[(2S)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 11914270

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The IUPAC name of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate (CID 7727103) is [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate.
What is the SMILES notation for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The canonical SMILES for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is Cc1oc(-c2ccccc2)nc1C(=O)O[C@H](C)C(=O)c1ccc(F)cc1.
What is the InChIKey of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
The InChIKey is WNLQYJNNKWAVTH-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H16FNO4/c1-12-17(22-19(25-12)15-6-4-3-5-7-15)20(24)26-13(2)18(23)14-8-10-16(21)11-9-14/h3-11,13H,1-2H3/t13-/m1/s1.
What are the key properties of [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate?
[(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate has a molecular weight of 353.35 g/mol, XLogP of 4.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 7727103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).