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

C15H16F3N3O2 — CID 146087492

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1noc(C)c1C(C)(C)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H16F3N3O2/c1-8-12(9(2)23-21-8)14(3,4)20-13(22)11-6-5-10(7-19-11)15(16,17)18/h5-7H,1-4H3,(H,20,22)
InChIKeyCLTYTZXIKNYWRJ-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.37
Rot. Bonds3

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

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 146087492) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID146087492
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCc1noc(C)c1C(C)(C)NC(=O)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C15H16F3N3O2/c1-8-12(9(2)23-21-8)14(3,4)20-13(22)11-6-5-10(7-19-11)15(16,17)18/h5-7H,1-4H3,(H,20,22)
InChIKeyCLTYTZXIKNYWRJ-UHFFFAOYSA-N
XLogP3.37
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-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

N-(1-amino-2-methyl-1-sulfanylidenepropan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908464
2-phenyl-2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoic acid
CID 167810033
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2,4-difluoro-3-hydroxybenzamide
CID 167865150
N-(1-amino-2-methyl-1-sulfanylidenebutan-2-yl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908469
N-(2-methoxyethyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 154762971
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
N-(4-hydroxy-3-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115751923
N-(6-chloro-5-methyl-3-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 103745352
N-(3-bromo-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115578171
N-(5-bromo-3-methyl-2-pyridinyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115739184
ethyl 2-[[5-(trifluoromethyl)pyridine-2-carbonyl]amino]propanoate
CID 115593424
N-(3-amino-4-methylphenyl)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 114908271

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 146087492) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is Cc1noc(C)c1C(C)(C)NC(=O)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is CLTYTZXIKNYWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-8-12(9(2)23-21-8)14(3,4)20-13(22)11-6-5-10(7-19-11)15(16,17)18/h5-7H,1-4H3,(H,20,22).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 146087492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).