3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine

C17H14N6O — CID 94943137

IUPAC3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESNc1c(-c2nc(-c3ccccc3)no2)nnn1Cc1ccccc1
InChIInChI=1S/C17H14N6O/c18-15-14(20-22-23(15)11-12-7-3-1-4-8-12)17-19-16(21-24-17)13-9-5-2-6-10-13/h1-10H,11,18H2
InChIKeyXBFNOCLJTJNTDP-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.63
Rot. Bonds4

About 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine

3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine (PubChem CID 94943137) has the molecular formula C17H14N6O and a molecular weight of 318.34 g/mol. Its IUPAC name is 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
PubChem CID94943137
Molecular FormulaC17H14N6O
Molecular Weight318.34 g/mol
Exact Mass318.12
IUPAC Name3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
SMILESNc1c(-c2nc(-c3ccccc3)no2)nnn1Cc1ccccc1
InChIInChI=1S/C17H14N6O/c18-15-14(20-22-23(15)11-12-7-3-1-4-8-12)17-19-16(21-24-17)13-9-5-2-6-10-13/h1-10H,11,18H2
InChIKeyXBFNOCLJTJNTDP-UHFFFAOYSA-N
XLogP2.63
TPSA95.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]-N-phenylacetamide
CID 15988295
methyl 2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]acetate
CID 82202834
3-(2-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 20904364
5-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-(2-methylpropyl)triazol-4-amine
CID 94944820
5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3-phenyltriazol-4-amine
CID 20904427
3-[5-amino-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]propan-1-ol
CID 82211677
3-methyl-5-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]triazol-4-amine
CID 82207947
5-[5-methyl-1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]triazol-4-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 50838187
3-(2-chlorophenyl)-5-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)triazol-4-amine
CID 7185189
5-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-5-methyltriazol-4-yl]-3-phenyl-1,2,4-oxadiazole
CID 50838067
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 28527543
5-[(3-fluorophenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)-6,7-dihydrotriazolo[1,5-a]pyrazin-4-one
CID 91891120

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The IUPAC name of 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine (CID 94943137) is 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine.
What is the SMILES notation for 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The canonical SMILES for 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine is Nc1c(-c2nc(-c3ccccc3)no2)nnn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
The InChIKey is XBFNOCLJTJNTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O/c18-15-14(20-22-23(15)11-12-7-3-1-4-8-12)17-19-16(21-24-17)13-9-5-2-6-10-13/h1-10H,11,18H2.
What are the key properties of 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine?
3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine has a molecular weight of 318.34 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-4-amine is sourced from PubChem (CID 94943137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).