4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid

C19H14ClFN2O4 — CID 20785839

IUPAC4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H14ClFN2O4/c1-10-15(17(23-27-10)16-13(20)3-2-4-14(16)21)18(24)22-9-11-5-7-12(8-6-11)19(25)26/h2-8H,9H2,1H3,(H,22,24)(H,25,26)
InChIKeyKBMLQGUKRQQJDE-UHFFFAOYSA-N
MW388.78 g/mol
LogP4.07
Rot. Bonds5

About 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid

4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid (PubChem CID 20785839) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid
PubChem CID20785839
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid
SMILESCc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C19H14ClFN2O4/c1-10-15(17(23-27-10)16-13(20)3-2-4-14(16)21)18(24)22-9-11-5-7-12(8-6-11)19(25)26/h2-8H,9H2,1H3,(H,22,24)(H,25,26)
InChIKeyKBMLQGUKRQQJDE-UHFFFAOYSA-N
XLogP4.07
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]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 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The IUPAC name of 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid (CID 20785839) is 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid.
What is the SMILES notation for 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The canonical SMILES for 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid is Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid?
The InChIKey is KBMLQGUKRQQJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/c1-10-15(17(23-27-10)16-13(20)3-2-4-14(16)21)18(24)22-9-11-5-7-12(8-6-11)19(25)26/h2-8H,9H2,1H3,(H,22,24)(H,25,26).
What are the key properties of 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid?
4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid has a molecular weight of 388.78 g/mol, XLogP of 4.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]benzoic acid is sourced from PubChem (CID 20785839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).