2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid

C24H19ClN2O5S — CID 58539389

IUPAC2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(-c3nc(C(=O)O)cs3)cc2)c1CC(=O)OC(C)c1ccccc1Cl
InChIInChI=1S/C24H19ClN2O5S/c1-13-18(11-21(28)31-14(2)17-5-3-4-6-19(17)25)22(32-27-13)15-7-9-16(10-8-15)23-26-20(12-33-23)24(29)30/h3-10,12,14H,11H2,1-2H3,(H,29,30)
InChIKeyNDQYDQVITMZEFV-UHFFFAOYSA-N
MW482.95 g/mol
LogP5.97
Rot. Bonds7

About 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid

2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid (PubChem CID 58539389) has the molecular formula C24H19ClN2O5S and a molecular weight of 482.95 g/mol. Its IUPAC name is 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid
PubChem CID58539389
Molecular FormulaC24H19ClN2O5S
Molecular Weight482.95 g/mol
Exact Mass482.07
IUPAC Name2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid
SMILESCc1noc(-c2ccc(-c3nc(C(=O)O)cs3)cc2)c1CC(=O)OC(C)c1ccccc1Cl
InChIInChI=1S/C24H19ClN2O5S/c1-13-18(11-21(28)31-14(2)17-5-3-4-6-19(17)25)22(32-27-13)15-7-9-16(10-8-15)23-26-20(12-33-23)24(29)30/h3-10,12,14H,11H2,1-2H3,(H,29,30)
InChIKeyNDQYDQVITMZEFV-UHFFFAOYSA-N
XLogP5.97
TPSA102.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.95
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid (CID 58539389) is 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid is Cc1noc(-c2ccc(-c3nc(C(=O)O)cs3)cc2)c1CC(=O)OC(C)c1ccccc1Cl.
What is the InChIKey of 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid?
The InChIKey is NDQYDQVITMZEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClN2O5S/c1-13-18(11-21(28)31-14(2)17-5-3-4-6-19(17)25)22(32-27-13)15-7-9-16(10-8-15)23-26-20(12-33-23)24(29)30/h3-10,12,14H,11H2,1-2H3,(H,29,30).
What are the key properties of 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid?
2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid has a molecular weight of 482.95 g/mol, XLogP of 5.97, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[2-[1-(2-chlorophenyl)ethoxy]-2-oxoethyl]-3-methyl-1,2-oxazol-5-yl]phenyl]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 58539389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).