2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide

C12H10F3N3O2S — CID 106922443

IUPAC2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(Sc2nc(C(F)(F)F)ccc2C(N)=O)oc1C
InChIInChI=1S/C12H10F3N3O2S/c1-5-6(2)20-11(17-5)21-10-7(9(16)19)3-4-8(18-10)12(13,14)15/h3-4H,1-2H3,(H2,16,19)
InChIKeyZHZJFIMDHXFKPO-UHFFFAOYSA-N
MW317.29 g/mol
LogP2.96
Rot. Bonds3

About 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 106922443) has the molecular formula C12H10F3N3O2S and a molecular weight of 317.29 g/mol. Its IUPAC name is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID106922443
Molecular FormulaC12H10F3N3O2S
Molecular Weight317.29 g/mol
Exact Mass317.04
IUPAC Name2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1nc(Sc2nc(C(F)(F)F)ccc2C(N)=O)oc1C
InChIInChI=1S/C12H10F3N3O2S/c1-5-6(2)20-11(17-5)21-10-7(9(16)19)3-4-8(18-10)12(13,14)15/h3-4H,1-2H3,(H2,16,19)
InChIKeyZHZJFIMDHXFKPO-UHFFFAOYSA-N
XLogP2.96
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.29
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)pyridine-3-carboxamide
CID 47896295
2-(difluoromethylsulfanyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyridine-3-carboxamide
CID 87043471
2-(1,3-Oxazol-2-ylsulfanyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106922364
2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 106922406
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 106922434
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 106922875
[2-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106923740
[2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
CID 106923778
2-[(4,5-Dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxylic acid
CID 106926095
5-Acetyl-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 47073136
5-Amino-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]pyridine-3-carboxamide
CID 106921642
1-[6-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-3-pyridinyl]ethanone
CID 106923031

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide (CID 106922443) is 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1nc(Sc2nc(C(F)(F)F)ccc2C(N)=O)oc1C.
What is the InChIKey of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ZHZJFIMDHXFKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2S/c1-5-6(2)20-11(17-5)21-10-7(9(16)19)3-4-8(18-10)12(13,14)15/h3-4H,1-2H3,(H2,16,19).
What are the key properties of 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide?
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 317.29 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106922443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).