2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid

C19H17NO3 — CID 86246067

IUPAC2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid
SMILESCc1cc(C)c(-c2cnc(-c3ccccc3C(=O)O)o2)cc1C
InChIInChI=1S/C19H17NO3/c1-11-8-13(3)16(9-12(11)2)17-10-20-18(23-17)14-6-4-5-7-15(14)19(21)22/h4-10H,1-3H3,(H,21,22)
InChIKeyQIBKHVNYQKNGQF-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.63
Rot. Bonds3

About 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid

2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid (PubChem CID 86246067) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid.

Molecular Properties

Compound Name2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid
PubChem CID86246067
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid
SMILESCc1cc(C)c(-c2cnc(-c3ccccc3C(=O)O)o2)cc1C
InChIInChI=1S/C19H17NO3/c1-11-8-13(3)16(9-12(11)2)17-10-20-18(23-17)14-6-4-5-7-15(14)19(21)22/h4-10H,1-3H3,(H,21,22)
InChIKeyQIBKHVNYQKNGQF-UHFFFAOYSA-N
XLogP4.63
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic 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-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid?
The IUPAC name of 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid (CID 86246067) is 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid.
What is the SMILES notation for 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid?
The canonical SMILES for 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid is Cc1cc(C)c(-c2cnc(-c3ccccc3C(=O)O)o2)cc1C.
What is the InChIKey of 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid?
The InChIKey is QIBKHVNYQKNGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-11-8-13(3)16(9-12(11)2)17-10-20-18(23-17)14-6-4-5-7-15(14)19(21)22/h4-10H,1-3H3,(H,21,22).
What are the key properties of 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid?
2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid has a molecular weight of 307.35 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4,5-trimethylphenyl)-1,3-oxazol-2-yl]benzoic acid is sourced from PubChem (CID 86246067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).