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

C17H19FN6O2 — CID 56889482

IUPACN-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
SMILESCCc1noc(CN(CC)C(=O)c2cn(Cc3ccc(F)cc3)nn2)n1
InChIInChI=1S/C17H19FN6O2/c1-3-15-19-16(26-21-15)11-23(4-2)17(25)14-10-24(22-20-14)9-12-5-7-13(18)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyGKHKOQVIVKQUBK-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.07
Rot. Bonds7

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

N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide (PubChem CID 56889482) has the molecular formula C17H19FN6O2 and a molecular weight of 358.38 g/mol. Its IUPAC name is N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
PubChem CID56889482
Molecular FormulaC17H19FN6O2
Molecular Weight358.38 g/mol
Exact Mass358.16
IUPAC NameN-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide
SMILESCCc1noc(CN(CC)C(=O)c2cn(Cc3ccc(F)cc3)nn2)n1
InChIInChI=1S/C17H19FN6O2/c1-3-15-19-16(26-21-15)11-23(4-2)17(25)14-10-24(22-20-14)9-12-5-7-13(18)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3
InChIKeyGKHKOQVIVKQUBK-UHFFFAOYSA-N
XLogP2.07
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The IUPAC name of N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide (CID 56889482) is N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The canonical SMILES for N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide is CCc1noc(CN(CC)C(=O)c2cn(Cc3ccc(F)cc3)nn2)n1.
What is the InChIKey of N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
The InChIKey is GKHKOQVIVKQUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN6O2/c1-3-15-19-16(26-21-15)11-23(4-2)17(25)14-10-24(22-20-14)9-12-5-7-13(18)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3.
What are the key properties of N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide?
N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide has a molecular weight of 358.38 g/mol, XLogP of 2.07, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(4-fluorophenyl)methyl]triazole-4-carboxamide is sourced from PubChem (CID 56889482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).