[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone

C21H19ClN2O3S — CID 4292223

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-13-18(19(23-27-13)16-5-3-4-6-17(16)22)20(25)24-11-12-28-21(24)14-7-9-15(26-2)10-8-14/h3-10,21H,11-12H2,1-2H3
InChIKeyKUBZOHHIRTYTHH-UHFFFAOYSA-N
MW414.91 g/mol
LogP5.20
Rot. Bonds4

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone (PubChem CID 4292223) has the molecular formula C21H19ClN2O3S and a molecular weight of 414.91 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone
PubChem CID4292223
Molecular FormulaC21H19ClN2O3S
Molecular Weight414.91 g/mol
Exact Mass414.08
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone
SMILESCOc1ccc(C2SCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)cc1
InChIInChI=1S/C21H19ClN2O3S/c1-13-18(19(23-27-13)16-5-3-4-6-17(16)22)20(25)24-11-12-28-21(24)14-7-9-15(26-2)10-8-14/h3-10,21H,11-12H2,1-2H3
InChIKeyKUBZOHHIRTYTHH-UHFFFAOYSA-N
XLogP5.20
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.91
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone 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

(3,5-dimethyl-1,2-oxazol-4-yl)-(2-phenyl-1,3-thiazolidin-3-yl)methanone
CID 122329180
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 46366284
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(4-phenoxyphenyl)methanone
CID 122331396
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2R,3R)-3-methyl-2-phenylmorpholin-4-yl]methanone
CID 6975520
(4-methoxyphenyl)-[2-(4-propan-2-ylphenyl)-1,3-thiazolidin-3-yl]methanone
CID 4047781
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[(2S,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 700024
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]-4-hydroxypiperidine-4-carboxylic acid
CID 119251237
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 50809663
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[3-(hydroxymethyl)azetidin-1-yl]methanone
CID 121105782
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 1050462
[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]-(2-methoxy-3-pyridinyl)methanone
CID 122331438

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone (CID 4292223) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone is COc1ccc(C2SCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)cc1.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
The InChIKey is KUBZOHHIRTYTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O3S/c1-13-18(19(23-27-13)16-5-3-4-6-17(16)22)20(25)24-11-12-28-21(24)14-7-9-15(26-2)10-8-14/h3-10,21H,11-12H2,1-2H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone has a molecular weight of 414.91 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[2-(4-methoxyphenyl)-1,3-thiazolidin-3-yl]methanone is sourced from PubChem (CID 4292223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).