3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

C12H11F3N4O3 — CID 163398213

IUPAC3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1CC(CNC(=O)c2ccc(C(F)(F)F)nc2)=NO1
InChIInChI=1S/C12H11F3N4O3/c13-12(14,15)9-2-1-6(4-17-9)11(21)18-5-7-3-8(10(16)20)22-19-7/h1-2,4,8H,3,5H2,(H2,16,20)(H,18,21)
InChIKeyUEBFSLAMJQLASC-UHFFFAOYSA-N
MW316.24 g/mol
LogP0.46
Rot. Bonds4

About 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide

3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 163398213) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID163398213
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESNC(=O)C1CC(CNC(=O)c2ccc(C(F)(F)F)nc2)=NO1
InChIInChI=1S/C12H11F3N4O3/c13-12(14,15)9-2-1-6(4-17-9)11(21)18-5-7-3-8(10(16)20)22-19-7/h1-2,4,8H,3,5H2,(H2,16,20)(H,18,21)
InChIKeyUEBFSLAMJQLASC-UHFFFAOYSA-N
XLogP0.46
TPSA106.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-amino-5-oxopentyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 75399276
6-(trifluoromethyl)pyridine-3-carbohydrazide;dihydrochloride
CID 175168012
N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 47250304
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 86836166
N-[2-(cycloheptylamino)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide;dihydrochloride
CID 119620729
N-(2-hydroxycyclobutyl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 126856476
N-[[4-[(2R)-morpholin-2-yl]phenyl]methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 58315627
N-[(4-morpholin-2-ylphenyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 67240344
(2S)-2-hydroxy-3-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 107833571
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
4-amino-4-oxo-2-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]butanoic acid
CID 43638813
N-[(2-pyridin-4-yl-3-pyridinyl)methyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 91816053

Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 163398213) is 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is NC(=O)C1CC(CNC(=O)c2ccc(C(F)(F)F)nc2)=NO1.
What is the InChIKey of 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UEBFSLAMJQLASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c13-12(14,15)9-2-1-6(4-17-9)11(21)18-5-7-3-8(10(16)20)22-19-7/h1-2,4,8H,3,5H2,(H2,16,20)(H,18,21).
What are the key properties of 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 163398213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).