2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid

C15H11NO4 — CID 61395834

IUPAC2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2nc3ccccc3o2)c1
InChIInChI=1S/C15H11NO4/c1-9-6-7-10(14(17)18)13(8-9)20-15-16-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,17,18)
InChIKeyPTWHRBLVIVGRTK-UHFFFAOYSA-N
MW269.26 g/mol
LogP3.63
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid

2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid (PubChem CID 61395834) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid
PubChem CID61395834
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid
SMILESCc1ccc(C(=O)O)c(Oc2nc3ccccc3o2)c1
InChIInChI=1S/C15H11NO4/c1-9-6-7-10(14(17)18)13(8-9)20-15-16-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,17,18)
InChIKeyPTWHRBLVIVGRTK-UHFFFAOYSA-N
XLogP3.63
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic 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-(1,3-benzoxazol-2-yloxy)-5-methylbenzoic acid
CID 61396354
2-(1,3-benzoxazol-2-yloxy)-5-iodobenzoic acid
CID 107732420
2-(1,3-benzoxazol-2-yloxy)-3-methoxybenzoic acid
CID 61395727
4-methyl-2-pyrimidin-2-yloxybenzoic acid
CID 61395843
5-(1,3-benzoxazol-2-yloxy)pyridine-3-carboxylic acid
CID 63850200
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
4-methyl-2-quinolin-7-yloxybenzoic acid
CID 107313379
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-(1,3-benzoxazol-2-yl)-6,8-dimethylquinoline-4-carboxylic acid
CID 126751054
2-furo[3,2-c]pyridin-4-yloxy-4-methylbenzoic acid
CID 106535487
4-(1,3-benzoxazol-2-yloxy)-5-fluoro-2-methylaniline
CID 114417599
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid?
The IUPAC name of 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid (CID 61395834) is 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid?
The canonical SMILES for 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid is Cc1ccc(C(=O)O)c(Oc2nc3ccccc3o2)c1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid?
The InChIKey is PTWHRBLVIVGRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c1-9-6-7-10(14(17)18)13(8-9)20-15-16-11-4-2-3-5-12(11)19-15/h2-8H,1H3,(H,17,18).
What are the key properties of 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid?
2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid has a molecular weight of 269.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yloxy)-4-methylbenzoic acid is sourced from PubChem (CID 61395834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).