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

C14H14F3N3O2 — CID 51078934

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H14F3N3O2/c1-8-11(9(2)22-19-8)7-20(3)13(21)10-4-5-12(18-6-10)14(15,16)17/h4-6H,7H2,1-3H3
InChIKeyMDESZFOQVIBKPK-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.98
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 51078934) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID51078934
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCc1noc(C)c1CN(C)C(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C14H14F3N3O2/c1-8-11(9(2)22-19-8)7-20(3)13(21)10-4-5-12(18-6-10)14(15,16)17/h4-6H,7H2,1-3H3
InChIKeyMDESZFOQVIBKPK-UHFFFAOYSA-N
XLogP2.98
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 51078934) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is Cc1noc(C)c1CN(C)C(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MDESZFOQVIBKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8-11(9(2)22-19-8)7-20(3)13(21)10-4-5-12(18-6-10)14(15,16)17/h4-6H,7H2,1-3H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 51078934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).