3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C15H10ClF4N3O3S — CID 168849346

IUPAC3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@H](c2ccc(F)c(Cl)c2)c2csc(C(F)(F)F)n2)C(=O)O1
InChIInChI=1S/C15H10ClF4N3O3S/c16-7-3-6(1-2-8(7)17)11(9-5-27-13(22-9)15(18,19)20)23-4-10(12(21)24)26-14(23)25/h1-3,5,10-11H,4H2,(H2,21,24)/t10?,11-/m1/s1
InChIKeyPUFLGVLSPXZQNF-RRKGBCIJSA-N
MW423.78 g/mol
LogP3.35
Rot. Bonds4

About 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 168849346) has the molecular formula C15H10ClF4N3O3S and a molecular weight of 423.78 g/mol. Its IUPAC name is 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID168849346
Molecular FormulaC15H10ClF4N3O3S
Molecular Weight423.78 g/mol
Exact Mass423.01
IUPAC Name3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@H](c2ccc(F)c(Cl)c2)c2csc(C(F)(F)F)n2)C(=O)O1
InChIInChI=1S/C15H10ClF4N3O3S/c16-7-3-6(1-2-8(7)17)11(9-5-27-13(22-9)15(18,19)20)23-4-10(12(21)24)26-14(23)25/h1-3,5,10-11H,4H2,(H2,21,24)/t10?,11-/m1/s1
InChIKeyPUFLGVLSPXZQNF-RRKGBCIJSA-N
XLogP3.35
TPSA85.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.78
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-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

3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849321
3-[(S)-(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849352
3-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849449
3-[(S)-[3-chloro-4-(trifluoromethoxy)phenyl]-[1-(trifluoromethyl)pyrazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 168849433
1-[(S)-(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509846
1-[(R)-(5-chloro-1-benzofuran-2-yl)-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509733
2-amino-3-(3-chloro-4-fluorophenyl)-3-hydroxypropanoic acid
CID 81155550
(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520678
2-[2-[(2R)-2-[amino-(3-chloro-4-fluorophenyl)methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid
CID 67411847
1-[(R)-[(7S)-2-chloro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]-(3-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 162509797
(5S)-5-(4-chlorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 11099554
2-[amino-(3-chloro-4-fluorophenyl)methyl]butanoic acid
CID 116945097

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 168849346) is 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)C1CN([C@H](c2ccc(F)c(Cl)c2)c2csc(C(F)(F)F)n2)C(=O)O1.
What is the InChIKey of 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is PUFLGVLSPXZQNF-RRKGBCIJSA-N. The full InChI is InChI=1S/C15H10ClF4N3O3S/c16-7-3-6(1-2-8(7)17)11(9-5-27-13(22-9)15(18,19)20)23-4-10(12(21)24)26-14(23)25/h1-3,5,10-11H,4H2,(H2,21,24)/t10?,11-/m1/s1.
What are the key properties of 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 423.78 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(3-chloro-4-fluorophenyl)-[2-(trifluoromethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 168849346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).