(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one

C21H21NO2 — CID 134955603

IUPAC(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one
SMILESCc1ccccc1/C=C/[C@H](C)[C@@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C21H21NO2/c1-15-9-7-8-10-17(15)14-13-16(2)21(3)20(23)24-19(22-21)18-11-5-4-6-12-18/h4-14,16H,1-3H3/b14-13+/t16-,21+/m0/s1
InChIKeyRZYCULRKQSZTBF-NLGZVZEPSA-N
MW319.40 g/mol
LogP4.41
Rot. Bonds4

About (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one

(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one (PubChem CID 134955603) has the molecular formula C21H21NO2 and a molecular weight of 319.40 g/mol. Its IUPAC name is (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one
PubChem CID134955603
Molecular FormulaC21H21NO2
Molecular Weight319.40 g/mol
Exact Mass319.16
IUPAC Name(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one
SMILESCc1ccccc1/C=C/[C@H](C)[C@@]1(C)N=C(c2ccccc2)OC1=O
InChIInChI=1S/C21H21NO2/c1-15-9-7-8-10-17(15)14-13-16(2)21(3)20(23)24-19(22-21)18-11-5-4-6-12-18/h4-14,16H,1-3H3/b14-13+/t16-,21+/m0/s1
InChIKeyRZYCULRKQSZTBF-NLGZVZEPSA-N
XLogP4.41
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one 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

(4S)-4-[(1R)-1-(4-fluorophenyl)prop-2-enyl]-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 102582088
4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
CID 100943366
(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
CID 100997269
2-methylpropyl (4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazole-4-carboxylate
CID 102179165
(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
(5S)-2-phenyl-9-propan-2-yl-3-oxa-1-azaspiro[4.4]nona-1,8-dien-4-one
CID 11594055
(E)-3-hydroxy-5-(2-methylphenyl)pent-4-enoic acid
CID 22261798
CID 101387687
CID 101387687
4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101412232
O-[(4S)-4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl] ethanethioate
CID 45123250
4-chloro-2-phenyl-4-propanoyl-1,3-oxazol-5-one
CID 13223327
3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 13177925

Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one (CID 134955603) is (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one is Cc1ccccc1/C=C/[C@H](C)[C@@]1(C)N=C(c2ccccc2)OC1=O.
What is the InChIKey of (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is RZYCULRKQSZTBF-NLGZVZEPSA-N. The full InChI is InChI=1S/C21H21NO2/c1-15-9-7-8-10-17(15)14-13-16(2)21(3)20(23)24-19(22-21)18-11-5-4-6-12-18/h4-14,16H,1-3H3/b14-13+/t16-,21+/m0/s1.
What are the key properties of (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one?
(4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 319.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-[(E,2S)-4-(2-methylphenyl)but-3-en-2-yl]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 134955603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).