2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

C18H20F3N3O2S — CID 35224232

IUPAC2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)no1
InChIInChI=1S/C18H20F3N3O2S/c1-11-8-14(24-26-11)10-27-17-15(6-3-7-22-17)16(25)23-13-5-2-4-12(9-13)18(19,20)21/h3,6-8,12-13H,2,4-5,9-10H2,1H3,(H,23,25)/t12-,13+/m1/s1
InChIKeyFFIKGRLZGYINAS-OLZOCXBDSA-N
MW399.44 g/mol
LogP4.52
Rot. Bonds5

About 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 35224232) has the molecular formula C18H20F3N3O2S and a molecular weight of 399.44 g/mol. Its IUPAC name is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID35224232
Molecular FormulaC18H20F3N3O2S
Molecular Weight399.44 g/mol
Exact Mass399.12
IUPAC Name2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
SMILESCc1cc(CSc2ncccc2C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)no1
InChIInChI=1S/C18H20F3N3O2S/c1-11-8-14(24-26-11)10-27-17-15(6-3-7-22-17)16(25)23-13-5-2-4-12(9-13)18(19,20)21/h3,6-8,12-13H,2,4-5,9-10H2,1H3,(H,23,25)/t12-,13+/m1/s1
InChIKeyFFIKGRLZGYINAS-OLZOCXBDSA-N
XLogP4.52
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-pyrrolidin-3-ylpyridine-3-carboxamide
CID 119452695
N-(2-methylcyclohexyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 78811351
N-(2-ethylcyclopropyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 56790893
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(2-oxoazepan-3-yl)pyridine-3-carboxamide
CID 55809513
N-(2,5-dimethylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 17427830
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-(4-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 35345100
N-[2-[di(propan-2-yl)amino]ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 34819713
N-[2-(dimethylamino)-2-ethylbutyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 47041344
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477184
N-(4-acetylphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 27666255
N-(2,4-difluorophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 37345127
cyclobutyl-[4-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carbonyl]piperazin-1-yl]methanone
CID 56512652

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide (CID 35224232) is 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is Cc1cc(CSc2ncccc2C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)no1.
What is the InChIKey of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is FFIKGRLZGYINAS-OLZOCXBDSA-N. The full InChI is InChI=1S/C18H20F3N3O2S/c1-11-8-14(24-26-11)10-27-17-15(6-3-7-22-17)16(25)23-13-5-2-4-12(9-13)18(19,20)21/h3,6-8,12-13H,2,4-5,9-10H2,1H3,(H,23,25)/t12-,13+/m1/s1.
What are the key properties of 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide?
2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-N-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 35224232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).