[(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate

C24H25NO4 — CID 10927275

IUPAC[(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate
SMILESCC(=O)O[C@H](/C=C/c1ccccc1)[C@]1(CC(C)C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C24H25NO4/c1-17(2)16-24(23(27)29-22(25-24)20-12-8-5-9-13-20)21(28-18(3)26)15-14-19-10-6-4-7-11-19/h4-15,17,21H,16H2,1-3H3/b15-14+/t21-,24+/m1/s1
InChIKeyDYOADXDOFISMQJ-BDMZBUNLSA-N
MW391.47 g/mol
LogP4.42
Rot. Bonds7

About [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate

[(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate (PubChem CID 10927275) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate.

Molecular Properties

Compound Name[(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate
PubChem CID10927275
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Name[(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate
SMILESCC(=O)O[C@H](/C=C/c1ccccc1)[C@]1(CC(C)C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C24H25NO4/c1-17(2)16-24(23(27)29-22(25-24)20-12-8-5-9-13-20)21(28-18(3)26)15-14-19-10-6-4-7-11-19/h4-15,17,21H,16H2,1-3H3/b15-14+/t21-,24+/m1/s1
InChIKeyDYOADXDOFISMQJ-BDMZBUNLSA-N
XLogP4.42
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate 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

Methyl (4S,5S)-dihydro-5-methyl-2-phenyl-4-oxazolecarboxylate
CID 719711
Methyl (S)-(+)-4,5-dihydro-2-phenyl-4-oxazolecarboxylate
CID 11074512
benzyl (4S)-2-phenyl-4,5-dihydrooxazole-4-carboxylate
CID 46201142
Methyl 2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 3609401
benzyl (4S)-2-(3-fluorophenyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201210
(4S,5S)-5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid
CID 46889284
benzyl (4S)-2-benzyl-4,5-dihydrooxazole-4-carboxylate
CID 46201291
benzyl (4S)-2-(p-tolyl)-4,5-dihydrooxazole-4-carboxylate
CID 46201336
2-Phenyl-2-oxazoline-4-carboxylic acid tert-butyl ester
CID 11736742
Isopropyl 2-phenyl-2-oxazoline-4-carboxylate
CID 589632
(4S, 5R) 5-methyl-2-phenyl-4,5-dihydrooxazole-4-carboxylic acid methyl ester
CID 719713
4-Benzyl-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 54091008

Frequently Asked Questions

What is the IUPAC name of [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate?
The IUPAC name of [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate (CID 10927275) is [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate.
What is the SMILES notation for [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate?
The canonical SMILES for [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate is CC(=O)O[C@H](/C=C/c1ccccc1)[C@]1(CC(C)C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate?
The InChIKey is DYOADXDOFISMQJ-BDMZBUNLSA-N. The full InChI is InChI=1S/C24H25NO4/c1-17(2)16-24(23(27)29-22(25-24)20-12-8-5-9-13-20)21(28-18(3)26)15-14-19-10-6-4-7-11-19/h4-15,17,21H,16H2,1-3H3/b15-14+/t21-,24+/m1/s1.
What are the key properties of [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate?
[(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate has a molecular weight of 391.47 g/mol, XLogP of 4.42, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E,1R)-1-[(4S)-4-(2-methylpropyl)-5-oxo-2-phenyl-1,3-oxazol-4-yl]-3-phenylprop-2-enyl] acetate is sourced from PubChem (CID 10927275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).