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

C19H16N6O2 — CID 169420008

IUPAC3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide
SMILESCc1nnc(-c2ccccc2-c2cccc(C(=O)Nc3cn(C)nn3)c2)o1
InChIInChI=1S/C19H16N6O2/c1-12-21-23-19(27-12)16-9-4-3-8-15(16)13-6-5-7-14(10-13)18(26)20-17-11-25(2)24-22-17/h3-11H,1-2H3,(H,20,26)
InChIKeyKPUKVSLVLKMPPZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.09
Rot. Bonds4

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

3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide (PubChem CID 169420008) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide.

Molecular Properties

Compound Name3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide
PubChem CID169420008
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide
SMILESCc1nnc(-c2ccccc2-c2cccc(C(=O)Nc3cn(C)nn3)c2)o1
InChIInChI=1S/C19H16N6O2/c1-12-21-23-19(27-12)16-9-4-3-8-15(16)13-6-5-7-14(10-13)18(26)20-17-11-25(2)24-22-17/h3-11H,1-2H3,(H,20,26)
InChIKeyKPUKVSLVLKMPPZ-UHFFFAOYSA-N
XLogP3.09
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-N-(1-methyltriazol-4-yl)benzamide
CID 112535369
N-(2,6-difluorophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)benzamide
CID 99817536
3-(2,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(1-methyltriazol-4-yl)benzamide
CID 169414430
2-methyl-5-[2-[3-[1-[(3-methylimidazol-4-yl)methyl]pyrazol-3-yl]phenyl]phenyl]-1,3,4-oxadiazole
CID 31053397
N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 154801615
[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 155948637
2-methoxy-N-(1-methyltriazol-4-yl)benzamide
CID 112535372
3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
3-(5-methyl-1,3,4-oxadiazol-2-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-ylmethyl)benzamide
CID 155963899
N-[5-[2-(1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 10524731
N-(3-benzamidophenyl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 55797169
2-(2-chlorophenyl)-N-(1-methyltriazol-4-yl)acetamide
CID 112535389

Frequently Asked Questions

What is the IUPAC name of 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide?
The IUPAC name of 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide (CID 169420008) is 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide.
What is the SMILES notation for 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide?
The canonical SMILES for 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide is Cc1nnc(-c2ccccc2-c2cccc(C(=O)Nc3cn(C)nn3)c2)o1.
What is the InChIKey of 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide?
The InChIKey is KPUKVSLVLKMPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-12-21-23-19(27-12)16-9-4-3-8-15(16)13-6-5-7-14(10-13)18(26)20-17-11-25(2)24-22-17/h3-11H,1-2H3,(H,20,26).
What are the key properties of 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide?
3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide has a molecular weight of 360.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-N-(1-methyltriazol-4-yl)benzamide is sourced from PubChem (CID 169420008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).