2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid

C15H10ClNO3 — CID 3043972

IUPAC2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid
SMILESO=C(O)Cc1cccc2c(-c3ccc(Cl)cc3)noc12
InChIInChI=1S/C15H10ClNO3/c16-11-6-4-9(5-7-11)14-12-3-1-2-10(8-13(18)19)15(12)20-17-14/h1-7H,8H2,(H,18,19)
InChIKeyQBMKKLPAYGGRRP-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.78
Rot. Bonds3

About 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid

2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid (PubChem CID 3043972) has the molecular formula C15H10ClNO3 and a molecular weight of 287.70 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid
PubChem CID3043972
Molecular FormulaC15H10ClNO3
Molecular Weight287.70 g/mol
Exact Mass287.03
IUPAC Name2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid
SMILESO=C(O)Cc1cccc2c(-c3ccc(Cl)cc3)noc12
InChIInChI=1S/C15H10ClNO3/c16-11-6-4-9(5-7-11)14-12-3-1-2-10(8-13(18)19)15(12)20-17-14/h1-7H,8H2,(H,18,19)
InChIKeyQBMKKLPAYGGRRP-UHFFFAOYSA-N
XLogP3.78
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-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

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid?
The IUPAC name of 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid (CID 3043972) is 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid.
What is the SMILES notation for 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid?
The canonical SMILES for 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid is O=C(O)Cc1cccc2c(-c3ccc(Cl)cc3)noc12.
What is the InChIKey of 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid?
The InChIKey is QBMKKLPAYGGRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClNO3/c16-11-6-4-9(5-7-11)14-12-3-1-2-10(8-13(18)19)15(12)20-17-14/h1-7H,8H2,(H,18,19).
What are the key properties of 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid?
2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid has a molecular weight of 287.70 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)-1,2-benzoxazol-7-yl]acetic acid is sourced from PubChem (CID 3043972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).