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

C15H16F3N3O2 — CID 122158392

IUPACN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccncc1C(F)(F)F)c1c(C)noc1C
InChIInChI=1S/C15H16F3N3O2/c1-4-12(13-8(2)21-23-9(13)3)20-14(22)10-5-6-19-7-11(10)15(16,17)18/h5-7,12H,4H2,1-3H3,(H,20,22)
InChIKeyYQSCTMJLUFOZHX-UHFFFAOYSA-N
MW327.31 g/mol
LogP3.59
Rot. Bonds4

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

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 122158392) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID122158392
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC NameN-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide
SMILESCCC(NC(=O)c1ccncc1C(F)(F)F)c1c(C)noc1C
InChIInChI=1S/C15H16F3N3O2/c1-4-12(13-8(2)21-23-9(13)3)20-14(22)10-5-6-19-7-11(10)15(16,17)18/h5-7,12H,4H2,1-3H3,(H,20,22)
InChIKeyYQSCTMJLUFOZHX-UHFFFAOYSA-N
XLogP3.59
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)-1,2-oxazole-4-carboxamide
CID 138034889
N-ethyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 142421392
N-methyl-3-(trifluoromethyl)pyridine-4-carboxamide
CID 58243648
N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-hydroxy-1,3-benzodioxole-5-carboxamide
CID 99626562
2-[2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-2-oxoethyl]benzoic acid
CID 120699128
N-[(2R)-2-hydroxy-3-methylbutyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 99779539
1-cyclopropyl-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-6-methyl-4-oxopyridine-3-carboxamide
CID 164632326
N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 99633921
tert-butyl N-[[3-(trifluoromethyl)pyridine-4-carbonyl]amino]carbamate
CID 175174344
N-(1-pyridin-2-ylpropyl)-2-(trifluoromethyl)benzamide
CID 91775087
N-[1-(3-chlorophenyl)ethyl]-3-(trifluoromethyl)pyridine-4-carboxamide
CID 166229323
2-[4-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propylcarbamoyl]-2-ethoxyphenoxy]acetic acid
CID 120699130

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide (CID 122158392) is N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide is CCC(NC(=O)c1ccncc1C(F)(F)F)c1c(C)noc1C.
What is the InChIKey of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is YQSCTMJLUFOZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-4-12(13-8(2)21-23-9(13)3)20-14(22)10-5-6-19-7-11(10)15(16,17)18/h5-7,12H,4H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide?
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 327.31 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 122158392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).