(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one

C17H14BrNO2 — CID 165350179

IUPAC(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one
SMILESC[C@]1(Cc2ccccc2)N=C(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C17H14BrNO2/c1-17(11-12-5-3-2-4-6-12)16(20)21-15(19-17)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3/t17-/m1/s1
InChIKeySSQRPJVDESVHLL-QGZVFWFLSA-N
MW344.21 g/mol
LogP3.75
Rot. Bonds3

About (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one

(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one (PubChem CID 165350179) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one
PubChem CID165350179
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC Name(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one
SMILESC[C@]1(Cc2ccccc2)N=C(c2ccc(Br)cc2)OC1=O
InChIInChI=1S/C17H14BrNO2/c1-17(11-12-5-3-2-4-6-12)16(20)21-15(19-17)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3/t17-/m1/s1
InChIKeySSQRPJVDESVHLL-QGZVFWFLSA-N
XLogP3.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.21
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-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-benzyl-2,4-dimethyl-1,3-oxazol-5-one
CID 10013127
4-(2-fluoroprop-2-enyl)-4-methyl-2-phenyl-1,3-oxazol-5-one
CID 101412232
3-(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)propanenitrile
CID 13177925
(4S)-4-methyl-4-(3-methylbut-2-enyl)-2-phenyl-1,3-oxazol-5-one
CID 100997260
4-benzyl-4-(iodomethyl)-2-phenyl-1,3-oxazol-5-one
CID 11784124
4-benzyl-2-phenyl-4-(2-trimethylsilylethynyl)-1,3-oxazol-5-one
CID 102232575
(4S)-4-benzyl-2-(3,5-dinitrophenyl)-4-ethyl-1,3-oxazol-5-one
CID 54401619
(4S)-4-methyl-2-phenyl-4-[(Z)-3-phenylbut-2-enyl]-1,3-oxazol-5-one
CID 100997269
[2-[(4-methyl-5-oxo-2-phenyl-1,3-oxazol-4-yl)methyl]-3-pyridinyl] benzenesulfonate
CID 19349879
4-methyl-4-[(E)-5-methyl-3-phenylhex-2-enyl]-2-phenyl-1,3-oxazol-5-one
CID 100943366
(4R)-4-benzyl-2-(4-methylphenyl)-4-[(1S)-3-oxocyclohexyl]-1,3-oxazol-5-one
CID 132578232
benzyl 2-(4-methoxyphenyl)-4-methyl-5-oxo-1,3-oxazole-4-carboxylate
CID 132566513

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one?
The IUPAC name of (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one (CID 165350179) is (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one.
What is the SMILES notation for (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one?
The canonical SMILES for (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one is C[C@]1(Cc2ccccc2)N=C(c2ccc(Br)cc2)OC1=O.
What is the InChIKey of (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one?
The InChIKey is SSQRPJVDESVHLL-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-17(11-12-5-3-2-4-6-12)16(20)21-15(19-17)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3/t17-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one?
(4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one has a molecular weight of 344.21 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-(4-bromophenyl)-4-methyl-1,3-oxazol-5-one is sourced from PubChem (CID 165350179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).