4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid

C22H15ClN2O4 — CID 118536059

IUPAC4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccc(OCc3ccccn3)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClN2O4/c23-16-8-4-14(5-9-16)19-20(22(26)27)25-29-21(19)15-6-10-18(11-7-15)28-13-17-3-1-2-12-24-17/h1-12H,13H2,(H,26,27)
InChIKeyHDGANEMPOHKHSY-UHFFFAOYSA-N
MW406.83 g/mol
LogP5.33
Rot. Bonds6

About 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid

4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 118536059) has the molecular formula C22H15ClN2O4 and a molecular weight of 406.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID118536059
Molecular FormulaC22H15ClN2O4
Molecular Weight406.83 g/mol
Exact Mass406.07
IUPAC Name4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1noc(-c2ccc(OCc3ccccn3)cc2)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H15ClN2O4/c23-16-8-4-14(5-9-16)19-20(22(26)27)25-29-21(19)15-6-10-18(11-7-15)28-13-17-3-1-2-12-24-17/h1-12H,13H2,(H,26,27)
InChIKeyHDGANEMPOHKHSY-UHFFFAOYSA-N
XLogP5.33
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.83
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic 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

5-[2-[2-Chloro-4-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]phenyl]cyclopropyl]pyridine-2-carboxylic acid
CID 50943001
4-(4-Chlorophenyl)-5-[4-(quinoline-2-ylmethoxy)phenyl] isoxazol-3-carboxylic acid
CID 60168044
6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid methyl ester
CID 42629330
6-[3-(4-Chloro-phenyl)-5-methyl-isoxazol-4-ylmethoxy]-nicotinic acid
CID 68442825
Ethyl 5-[(7-chloro-4-quinolyl)oxymethyl]isoxazole-3-carboxylate
CID 44572514
US10730863, Example 319
CID 138602509
2-[3-[4-[[5-Cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-4-carboxylic acid
CID 171350843
3-[[(E)-1-[5-[[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-pyridinyl]ethylideneamino]oxymethyl]benzoic acid
CID 171350964
5-[3-[4-[[5-Cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]methoxy]-2-methylphenyl]-4,5-dihydro-1,2-oxazol-5-yl]pyridine-2-carboxylic acid
CID 171351090
4-[5-[[3-(2,6-Dichlorophenyl)-5-propan-2-yl-1,2-oxazol-4-yl]methoxy]-3-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
CID 25002758
5-[3-(4-Fluoro-phenyl)-5-hydroxymethyl-isoxazol-4-ylmethoxy]-pyridine-2-carboxylic acid
CID 66644394
6-[[3-(4-Chloro-2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxylic acid
CID 117771425

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (CID 118536059) is 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1noc(-c2ccc(OCc3ccccn3)cc2)c1-c1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is HDGANEMPOHKHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O4/c23-16-8-4-14(5-9-16)19-20(22(26)27)25-29-21(19)15-6-10-18(11-7-15)28-13-17-3-1-2-12-24-17/h1-12H,13H2,(H,26,27).
What are the key properties of 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 406.83 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-[4-(pyridin-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 118536059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).