2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid

C17H12ClFN2O3 — CID 166108177

IUPAC2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESCc1cc(F)cc(Nc2ncc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1
InChIInChI=1S/C17H12ClFN2O3/c1-9-4-11(19)7-12(5-9)21-17-20-8-15(24-17)10-2-3-13(16(22)23)14(18)6-10/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyDCFINXGYVRCKPO-UHFFFAOYSA-N
MW346.75 g/mol
LogP4.88
Rot. Bonds4

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

2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid (PubChem CID 166108177) has the molecular formula C17H12ClFN2O3 and a molecular weight of 346.75 g/mol. Its IUPAC name is 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid
PubChem CID166108177
Molecular FormulaC17H12ClFN2O3
Molecular Weight346.75 g/mol
Exact Mass346.05
IUPAC Name2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid
SMILESCc1cc(F)cc(Nc2ncc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1
InChIInChI=1S/C17H12ClFN2O3/c1-9-4-11(19)7-12(5-9)21-17-20-8-15(24-17)10-2-3-13(16(22)23)14(18)6-10/h2-8H,1H3,(H,20,21)(H,22,23)
InChIKeyDCFINXGYVRCKPO-UHFFFAOYSA-N
XLogP4.88
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.75
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-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

Related Compounds

2-chloro-4-[2-(3,5-dimethylanilino)-1,3-oxazol-5-yl]benzamide;ethane
CID 166108220
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
5-chloro-6-(3-fluoro-5-methylanilino)pyridine-3-carboxylic acid
CID 79049585
methyl 5-[[5-(3,4-difluorophenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxylate
CID 155585480
N-(3-methyl-5-morpholin-4-ylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 134605229
4-chloro-N-(3-fluoro-5-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81232937
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
[3-[2-(3-fluoroanilino)-1,3-oxazol-5-yl]phenyl]methanediol
CID 139441363
4-[2-(3-methoxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 166108179
4-[2-(3,4-dimethylanilino)-1,3-oxazol-5-yl]benzamide
CID 166108152
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
N,3-dihydroxy-N-methyl-5-[[5-(4-methylphenyl)-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 167627830

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid?
The IUPAC name of 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid (CID 166108177) is 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid?
The canonical SMILES for 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid is Cc1cc(F)cc(Nc2ncc(-c3ccc(C(=O)O)c(Cl)c3)o2)c1.
What is the InChIKey of 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid?
The InChIKey is DCFINXGYVRCKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClFN2O3/c1-9-4-11(19)7-12(5-9)21-17-20-8-15(24-17)10-2-3-13(16(22)23)14(18)6-10/h2-8H,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid?
2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid has a molecular weight of 346.75 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[2-(3-fluoro-5-methylanilino)-1,3-oxazol-5-yl]benzoic acid is sourced from PubChem (CID 166108177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).