N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide

C17H13N7O2 — CID 75389703

IUPACN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
SMILESO=C(NCc1nc(-c2ccccn2)no1)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C17H13N7O2/c25-17(12-4-3-5-13(10-12)24-9-8-20-23-24)19-11-15-21-16(22-26-15)14-6-1-2-7-18-14/h1-10H,11H2,(H,19,25)
InChIKeyGDSUTZLYGXEAQQ-UHFFFAOYSA-N
MW347.34 g/mol
LogP1.64
Rot. Bonds5

About N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide

N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide (PubChem CID 75389703) has the molecular formula C17H13N7O2 and a molecular weight of 347.34 g/mol. Its IUPAC name is N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
PubChem CID75389703
Molecular FormulaC17H13N7O2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC NameN-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide
SMILESO=C(NCc1nc(-c2ccccn2)no1)c1cccc(-n2ccnn2)c1
InChIInChI=1S/C17H13N7O2/c25-17(12-4-3-5-13(10-12)24-9-8-20-23-24)19-11-15-21-16(22-26-15)14-6-1-2-7-18-14/h1-10H,11H2,(H,19,25)
InChIKeyGDSUTZLYGXEAQQ-UHFFFAOYSA-N
XLogP1.64
TPSA111.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

6-chloro-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyridine-2-carboxamide
CID 75370633
2-(2-methoxyethyl)-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazole-6-carboxamide
CID 72876680
2-[4-(5-methyltetrazol-1-yl)phenyl]-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 131911141
N-[[3-(6-ethoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(tetrazol-1-yl)benzamide
CID 91819290
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-(triazol-1-yl)benzamide
CID 109478348
N-[(2R)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816184
N-[(2S)-2-hydroxy-4,4-dimethylpentyl]-3-(triazol-1-yl)benzamide
CID 99816183
methyl 2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetate
CID 79474815
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(triazol-1-yl)benzamide
CID 109481241
(2R)-3-methyl-N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-2-pyrrolidin-1-ylbutanamide
CID 95979731
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-5-pyrrolidin-2-ylthiophene-2-carboxamide
CID 45185745
N-[[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(trifluoromethyl)benzamide
CID 171682383

Frequently Asked Questions

What is the IUPAC name of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide?
The IUPAC name of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide (CID 75389703) is N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide.
What is the SMILES notation for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide?
The canonical SMILES for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide is O=C(NCc1nc(-c2ccccn2)no1)c1cccc(-n2ccnn2)c1.
What is the InChIKey of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide?
The InChIKey is GDSUTZLYGXEAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N7O2/c25-17(12-4-3-5-13(10-12)24-9-8-20-23-24)19-11-15-21-16(22-26-15)14-6-1-2-7-18-14/h1-10H,11H2,(H,19,25).
What are the key properties of N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide?
N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide has a molecular weight of 347.34 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(triazol-1-yl)benzamide is sourced from PubChem (CID 75389703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).