(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide

C16H14F3N3O3S — CID 68591523

IUPAC(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2C(N)=O)c(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H14F3N3O3S/c1-8-21-12(15(24)22-7-26-6-11(22)14(20)23)13(25-8)9-3-2-4-10(5-9)16(17,18)19/h2-5,11H,6-7H2,1H3,(H2,20,23)/t11-/m0/s1
InChIKeyCEZAANUMJQCLRH-NSHDSACASA-N
MW385.37 g/mol
LogP2.67
Rot. Bonds3

About (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide

(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide (PubChem CID 68591523) has the molecular formula C16H14F3N3O3S and a molecular weight of 385.37 g/mol. Its IUPAC name is (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide.

Molecular Properties

Compound Name(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
PubChem CID68591523
Molecular FormulaC16H14F3N3O3S
Molecular Weight385.37 g/mol
Exact Mass385.07
IUPAC Name(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide
SMILESCc1nc(C(=O)N2CSC[C@H]2C(N)=O)c(-c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C16H14F3N3O3S/c1-8-21-12(15(24)22-7-26-6-11(22)14(20)23)13(25-8)9-3-2-4-10(5-9)16(17,18)19/h2-5,11H,6-7H2,1H3,(H2,20,23)/t11-/m0/s1
InChIKeyCEZAANUMJQCLRH-NSHDSACASA-N
XLogP2.67
TPSA89.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-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

6-methyl-N-[[(4R)-3-[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]-1,3-thiazolidin-4-yl]methyl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25072166
methyl (4R)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,3-thiazolidine-4-carboxylate
CID 110191701
5-[3-(trifluoromethyl)phenyl]-1,2-oxazol-4-amine
CID 105485175
N-[1-[(5-acetylfuran-2-yl)methyl]pyrazol-3-yl]-2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 66928928
2-(cyclopropylmethylamino)-N-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]acetamide
CID 119708085
(3-hydroxy-3-methylazetidin-1-yl)-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanone
CID 136571166
methyl 5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 122477173
(3S,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide
CID 51957116
(3R,6S)-6-methyl-1-[5-[3-(trifluoromethyl)phenyl]furan-2-carbonyl]piperidine-3-carboxamide
CID 51957118
(4R)-3-[5-cyclopropyl-6-(cyclopropylmethoxy)pyridine-2-carbonyl]-1,3-thiazolidine-4-carboxamide
CID 90215320
N-[4-(2,4-dimethyl-1,3-oxazol-5-yl)-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]-2,6-difluorobenzamide
CID 24765679
ethyl 5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylate
CID 2739543

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The IUPAC name of (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide (CID 68591523) is (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide.
What is the SMILES notation for (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The canonical SMILES for (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide is Cc1nc(C(=O)N2CSC[C@H]2C(N)=O)c(-c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
The InChIKey is CEZAANUMJQCLRH-NSHDSACASA-N. The full InChI is InChI=1S/C16H14F3N3O3S/c1-8-21-12(15(24)22-7-26-6-11(22)14(20)23)13(25-8)9-3-2-4-10(5-9)16(17,18)19/h2-5,11H,6-7H2,1H3,(H2,20,23)/t11-/m0/s1.
What are the key properties of (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide?
(4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide has a molecular weight of 385.37 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-1,3-thiazolidine-4-carboxamide is sourced from PubChem (CID 68591523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).