2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid

C12H10BrNO3 — CID 115084012

IUPAC2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1coc(Cc2ccccc2Br)n1
InChIInChI=1S/C12H10BrNO3/c13-10-4-2-1-3-8(10)5-11-14-9(7-17-11)6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyHWDQAXKGDRJUGZ-UHFFFAOYSA-N
MW296.12 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid

2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid (PubChem CID 115084012) has the molecular formula C12H10BrNO3 and a molecular weight of 296.12 g/mol. Its IUPAC name is 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid
PubChem CID115084012
Molecular FormulaC12H10BrNO3
Molecular Weight296.12 g/mol
Exact Mass294.98
IUPAC Name2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid
SMILESO=C(O)Cc1coc(Cc2ccccc2Br)n1
InChIInChI=1S/C12H10BrNO3/c13-10-4-2-1-3-8(10)5-11-14-9(7-17-11)6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKeyHWDQAXKGDRJUGZ-UHFFFAOYSA-N
XLogP2.65
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.12
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic 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

2-[2-(phenoxymethyl)-1,3-oxazol-4-yl]acetic acid
CID 82128961
2-[2-[(4-methylphenyl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115084165
2-[2-(chloromethyl)-1,3-oxazol-4-yl]acetic acid
CID 174696491
3-[2-[(2-methoxyphenyl)methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084021
2-[(2-bromophenyl)methyl]-1,3-oxazole-5-carboxylic acid
CID 82378595
1-[2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115083905
2-[2-[(1,1-dioxothian-4-yl)methyl]-1,3-oxazol-4-yl]acetic acid
CID 115082575
2-[2-(3-methoxypropyl)-1,3-oxazol-4-yl]acetic acid
CID 115081943
2-[2-[(2-bromophenyl)methylamino]-1,3-thiazol-4-yl]acetic acid
CID 80575894
2-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxylic acid
CID 115084002
2-[2-[(3,5-dimethylphenoxy)methyl]-1,3-oxazol-4-yl]acetic acid
CID 82133006
4-[(2-bromophenyl)methyl]benzoic acid
CID 116927223

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid (CID 115084012) is 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid is O=C(O)Cc1coc(Cc2ccccc2Br)n1.
What is the InChIKey of 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid?
The InChIKey is HWDQAXKGDRJUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrNO3/c13-10-4-2-1-3-8(10)5-11-14-9(7-17-11)6-12(15)16/h1-4,7H,5-6H2,(H,15,16).
What are the key properties of 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid?
2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid has a molecular weight of 296.12 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-bromophenyl)methyl]-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 115084012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).