2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid

C14H12BrNO3 — CID 66577681

IUPAC2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2ccc(Br)cc2)c1C1CC1C(=O)O
InChIInChI=1S/C14H12BrNO3/c1-7-12(10-6-11(10)14(17)18)13(19-16-7)8-2-4-9(15)5-3-8/h2-5,10-11H,6H2,1H3,(H,17,18)
InChIKeyPFKOYPVZOVEOTC-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.60
Rot. Bonds3

About 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid

2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid (PubChem CID 66577681) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid
PubChem CID66577681
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid
SMILESCc1noc(-c2ccc(Br)cc2)c1C1CC1C(=O)O
InChIInChI=1S/C14H12BrNO3/c1-7-12(10-6-11(10)14(17)18)13(19-16-7)8-2-4-9(15)5-3-8/h2-5,10-11H,6H2,1H3,(H,17,18)
InChIKeyPFKOYPVZOVEOTC-UHFFFAOYSA-N
XLogP3.60
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-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

2-(5-Phenyl-1,2-oxazol-3-yl)acetic acid
CID 23423467
2-(6-Bromo-1,2-benzoxazol-3-yl)acetic acid
CID 59127376
5-(4-Bromophenyl)isoxazole-3-propionic acid
CID 16217977
5-(4-Bromophenyl)-3-methyl-1,2-oxazole-4-carboxylic acid
CID 56604559
1-[4-(4-Bromophenyl)-6-hydroxy-3,6-dimethyl-4,5,6,7-tetrahydro-2,1-benzoxazol-5-yl]ethanone
CID 3511228
5-(4-Bromophenyl)-4-methyl-1,2-oxazole-3-carboxylic acid
CID 53406934
5-(4-Bromophenyl)-3,4-dimethyl-1,2-oxazole
CID 71405414
4-[5-(4-Bromophenyl)-3-methyl-1,2-oxazol-4-yl]-2,2-difluorobut-3-en-1-ol
CID 66577454
2-[5-(4-Bromo-3-fluorophenyl)-3-methyl-1,2-oxazol-4-yl]acetic acid
CID 174637987
3-Acetyl-4-[5-(4-bromophenyl)-1,2-oxazol-3-yl]-5-methylideneheptane-2,6-dione
CID 134970889
Methyl 2-[3-(4-bromophenyl)-1,2-oxazol-5-yl]-3-oxobutanoate
CID 178324871
2-(3,5-Dimethyl-1,2-oxazol-4-yl)-4-fluorobenzoic acid
CID 53225026

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid (CID 66577681) is 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid is Cc1noc(-c2ccc(Br)cc2)c1C1CC1C(=O)O.
What is the InChIKey of 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid?
The InChIKey is PFKOYPVZOVEOTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-7-12(10-6-11(10)14(17)18)13(19-16-7)8-2-4-9(15)5-3-8/h2-5,10-11H,6H2,1H3,(H,17,18).
What are the key properties of 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid?
2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)-3-methyl-1,2-oxazol-4-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 66577681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).