N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

C17H19F3N4O2 — CID 42195701

IUPACN-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn(C[C@@H]2CCCO2)nn1
InChIInChI=1S/C17H19F3N4O2/c1-23(9-12-4-2-5-13(8-12)17(18,19)20)16(25)15-11-24(22-21-15)10-14-6-3-7-26-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyKRHWBJMBUWYQMG-AWEZNQCLSA-N
MW368.36 g/mol
LogP2.75
Rot. Bonds5

About N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 42195701) has the molecular formula C17H19F3N4O2 and a molecular weight of 368.36 g/mol. Its IUPAC name is N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID42195701
Molecular FormulaC17H19F3N4O2
Molecular Weight368.36 g/mol
Exact Mass368.15
IUPAC NameN-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn(C[C@@H]2CCCO2)nn1
InChIInChI=1S/C17H19F3N4O2/c1-23(9-12-4-2-5-13(8-12)17(18,19)20)16(25)15-11-24(22-21-15)10-14-6-3-7-26-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3/t14-/m0/s1
InChIKeyKRHWBJMBUWYQMG-AWEZNQCLSA-N
XLogP2.75
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxamide
CID 26335479
N-[[(2S)-1,4-dioxan-2-yl]methyl]-N-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25278674
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]triazole-4-carboxamide
CID 95708149
N-methyl-N-(4-morpholin-4-ylbutyl)-1-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 28731341
N-(2-hydroxyethyl)-1-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)triazole-4-carboxamide
CID 42525623
1-(cyclohexylmethyl)-N-methyl-N-[[(2S)-oxan-2-yl]methyl]triazole-4-carboxamide
CID 95728030
methyl 1-[[(2R)-oxolan-2-yl]methyl]triazole-4-carboxylate
CID 129414230
N-(2-hydroxyethyl)-N-methyl-1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]triazole-4-carboxamide
CID 42328322
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
CID 29182024
2-cyclopropyl-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazole-6-carboxamide
CID 26315578
N,5-dimethyl-1-piperidin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 119737494

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (CID 42195701) is N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is CN(Cc1cccc(C(F)(F)F)c1)C(=O)c1cn(C[C@@H]2CCCO2)nn1.
What is the InChIKey of N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is KRHWBJMBUWYQMG-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19F3N4O2/c1-23(9-12-4-2-5-13(8-12)17(18,19)20)16(25)15-11-24(22-21-15)10-14-6-3-7-26-14/h2,4-5,8,11,14H,3,6-7,9-10H2,1H3/t14-/m0/s1.
What are the key properties of N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 368.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 42195701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).