3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid

C11H10BrNO4 — CID 115060250

IUPAC3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO4/c12-8-3-1-7(2-4-8)5-13-9(10(14)15)6-17-11(13)16/h1-4,9H,5-6H2,(H,14,15)
InChIKeyXJBCGCCHVSYYLW-UHFFFAOYSA-N
MW300.11 g/mol
LogP1.85
Rot. Bonds3

About 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid

3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid (PubChem CID 115060250) has the molecular formula C11H10BrNO4 and a molecular weight of 300.11 g/mol. Its IUPAC name is 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
PubChem CID115060250
Molecular FormulaC11H10BrNO4
Molecular Weight300.11 g/mol
Exact Mass298.98
IUPAC Name3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
SMILESO=C(O)C1COC(=O)N1Cc1ccc(Br)cc1
InChIInChI=1S/C11H10BrNO4/c12-8-3-1-7(2-4-8)5-13-9(10(14)15)6-17-11(13)16/h1-4,9H,5-6H2,(H,14,15)
InChIKeyXJBCGCCHVSYYLW-UHFFFAOYSA-N
XLogP1.85
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid 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)-3-[(4-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 96663913
3-[(3,4-dimethylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82480494
3-[(3-methoxyphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 82481104
4-(2-aminoethyl)-3-[(4-bromophenyl)methyl]-1,3-oxazolidin-2-one
CID 115060239
(4S)-3-benzyl-N-methyl-2-oxo-1,3-oxazolidine-4-carboxamide
CID 50851402
3-(3-hydroxypropyl)-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 115102311
2-[[(4S)-3-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-oxazolidine-4-carbonyl]amino]acetic acid
CID 50851565
(2S,4R)-4-[(4-bromophenyl)methyl]-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 11003933
2-[3-[(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 115060253
(4R)-3-[(6-methylcyclohexa-1,3-dien-1-yl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid
CID 143497170
1-[(4-bromophenyl)methyl]piperidine-2-carboxylic acid
CID 4021400
4-[[(4S)-4-[(3,5-dimethoxyphenyl)methylcarbamoyl]-2-oxo-1,3-oxazolidin-3-yl]methyl]benzoic acid
CID 50851613

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The IUPAC name of 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid (CID 115060250) is 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid.
What is the SMILES notation for 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The canonical SMILES for 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid is O=C(O)C1COC(=O)N1Cc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
The InChIKey is XJBCGCCHVSYYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO4/c12-8-3-1-7(2-4-8)5-13-9(10(14)15)6-17-11(13)16/h1-4,9H,5-6H2,(H,14,15).
What are the key properties of 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid?
3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid has a molecular weight of 300.11 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)methyl]-2-oxo-1,3-oxazolidine-4-carboxylic acid is sourced from PubChem (CID 115060250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).