N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

C16H15F3N6O2 — CID 56911700

IUPACN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCc1nnc(CN(C)C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)o1
InChIInChI=1S/C16H15F3N6O2/c1-10-20-22-14(27-10)9-24(2)15(26)13-8-25(23-21-13)7-11-5-3-4-6-12(11)16(17,18)19/h3-6,8H,7,9H2,1-2H3
InChIKeyFHLLKUUUOZINGW-UHFFFAOYSA-N
MW380.33 g/mol
LogP2.31
Rot. Bonds5

About N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide

N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 56911700) has the molecular formula C16H15F3N6O2 and a molecular weight of 380.33 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID56911700
Molecular FormulaC16H15F3N6O2
Molecular Weight380.33 g/mol
Exact Mass380.12
IUPAC NameN-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCc1nnc(CN(C)C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)o1
InChIInChI=1S/C16H15F3N6O2/c1-10-20-22-14(27-10)9-24(2)15(26)13-8-25(23-21-13)7-11-5-3-4-6-12(11)16(17,18)19/h3-6,8H,7,9H2,1-2H3
InChIKeyFHLLKUUUOZINGW-UHFFFAOYSA-N
XLogP2.31
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.33
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-benzyl-N-(2-hydroxyethyl)-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25457991
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N-cyclohexyl-N-prop-2-ynyl-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 25446260
1-benzyl-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 134003826
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N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-1-[(2-methylphenyl)methyl]triazole-4-carboxamide
CID 56909120
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 28634915
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CID 166210314
2-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]ethanol
CID 55066755
[(3R)-3-(methoxymethyl)pyrrolidin-1-yl]-[1-[[2-(trifluoromethyl)phenyl]methyl]triazol-4-yl]methanone
CID 42287586
1-[(4-chlorophenyl)methyl]-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 42160017
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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide (CID 56911700) is N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is Cc1nnc(CN(C)C(=O)c2cn(Cc3ccccc3C(F)(F)F)nn2)o1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is FHLLKUUUOZINGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O2/c1-10-20-22-14(27-10)9-24(2)15(26)13-8-25(23-21-13)7-11-5-3-4-6-12(11)16(17,18)19/h3-6,8H,7,9H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide?
N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 380.33 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-[[2-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 56911700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).