2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide

C13H13F2N3O2S — CID 87043471

IUPAC2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cccnc2SC(F)F)oc1C
InChIInChI=1S/C13H13F2N3O2S/c1-7-8(2)20-10(18-7)6-17-11(19)9-4-3-5-16-12(9)21-13(14)15/h3-5,13H,6H2,1-2H3,(H,17,19)
InChIKeyVXNAKMNEFYWVQT-UHFFFAOYSA-N
MW313.33 g/mol
LogP2.93
Rot. Bonds5

About 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide

2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 87043471) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
PubChem CID87043471
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
SMILESCc1nc(CNC(=O)c2cccnc2SC(F)F)oc1C
InChIInChI=1S/C13H13F2N3O2S/c1-7-8(2)20-10(18-7)6-17-11(19)9-4-3-5-16-12(9)21-13(14)15/h3-5,13H,6H2,1-2H3,(H,17,19)
InChIKeyVXNAKMNEFYWVQT-UHFFFAOYSA-N
XLogP2.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide with MolForge

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Related Compounds

2-Cyclopropyl-5-[4-(2-propan-2-ylsulfanylpyridine-3-carbonyl)piperazin-1-yl]-1,3-oxazole-4-carbonitrile
CID 47055415
3-{4-[5-Methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-YL]piperidine-1-carbonyl}-2-(methylsulfanyl)pyridine
CID 53168359
4-{[5-Methyl-2-(1-{[2-(methylthio)pyridin-3-yl]carbonyl}piperidin-4-yl)-1,3-oxazol-4-yl]carbonyl}morpholine
CID 53168408
4-(5-Methyl-2-{1-[2-(methylsulfanyl)pyridine-3-carbonyl]piperidin-4-YL}-1,3-oxazole-4-carbonyl)thiomorpholine
CID 53168425
2,5-dimethyl-N-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-1,3-oxazole-4-carboxamide
CID 122153243
2,4-Dimethyl-N-[(4-methylpyridin-2-YL)methyl]-1,3-oxazole-5-carboxamide
CID 122561906
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-6-propan-2-ylpyridine-3-carboxamide
CID 136545101
2-[3-(4-fluorophenyl)propylsulfanyl]-N-(1,3-oxazol-2-ylmethyl)pyridine-3-carboxamide
CID 67521505
4,5-dimethyl-N-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,3-oxazole-2-carboxamide
CID 89794044
2-(iodomethyl)-5-methyl-N-[4-(trifluoromethyl)pyridine-3-carbonyl]-1,3-oxazole-4-carboxamide
CID 89794060
N-(2,4-dimethyl-1,3-oxazol-5-yl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 140008149
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47896295

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide (CID 87043471) is 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide is Cc1nc(CNC(=O)c2cccnc2SC(F)F)oc1C.
What is the InChIKey of 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
The InChIKey is VXNAKMNEFYWVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-7-8(2)20-10(18-7)6-17-11(19)9-4-3-5-16-12(9)21-13(14)15/h3-5,13H,6H2,1-2H3,(H,17,19).
What are the key properties of 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide?
2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 313.33 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 87043471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).