3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

C21H14ClF2N3O2S — CID 112812194

IUPAC3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C21H14ClF2N3O2S/c1-11-18(19(27-29-11)14-4-2-3-5-15(14)22)20(28)26-21-25-10-13(30-21)8-12-6-7-16(23)17(24)9-12/h2-7,9-10H,8H2,1H3,(H,25,26,28)
InChIKeyFXHQBUZCBGYIJO-UHFFFAOYSA-N
MW445.88 g/mol
LogP5.88
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 112812194) has the molecular formula C21H14ClF2N3O2S and a molecular weight of 445.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID112812194
Molecular FormulaC21H14ClF2N3O2S
Molecular Weight445.88 g/mol
Exact Mass445.05
IUPAC Name3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1
InChIInChI=1S/C21H14ClF2N3O2S/c1-11-18(19(27-29-11)14-4-2-3-5-15(14)22)20(28)26-21-25-10-13(30-21)8-12-6-7-16(23)17(24)9-12/h2-7,9-10H,8H2,1H3,(H,25,26,28)
InChIKeyFXHQBUZCBGYIJO-UHFFFAOYSA-N
XLogP5.88
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.88
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide 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

N-[5-[(2,5-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 16549837
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 78904796
3-(2-chlorophenyl)-5-methyl-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 1303357
N-(5-benzyl-1,3-thiazol-2-yl)-2-chloro-6-fluorobenzamide
CID 51152768
3-(2-chlorophenyl)-5-methyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-4-carboxamide
CID 3384885
3-(2-chlorophenyl)-N-(2-fluoro-4-iodophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1259716
3-(2-chlorophenyl)-5-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 78792357
3-(2-chlorophenyl)-N-(4-fluoro-2-methylphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2731141
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-3-(3-methylphenyl)propanamide
CID 88589486
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
N-(5-chloro-2-methoxyphenyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 1070119

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 112812194) is 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is FXHQBUZCBGYIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF2N3O2S/c1-11-18(19(27-29-11)14-4-2-3-5-15(14)22)20(28)26-21-25-10-13(30-21)8-12-6-7-16(23)17(24)9-12/h2-7,9-10H,8H2,1H3,(H,25,26,28).
What are the key properties of 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 445.88 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 112812194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).