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

C19H16N6O2 — CID 55765878

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(Cn3cncn3)cc2)no1
InChIInChI=1S/C19H16N6O2/c1-13-22-18(24-27-13)16-4-2-3-5-17(16)23-19(26)15-8-6-14(7-9-15)10-25-12-20-11-21-25/h2-9,11-12H,10H2,1H3,(H,23,26)
InChIKeyBDRSLDKDCHQXLZ-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.94
Rot. Bonds5

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

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (PubChem CID 55765878) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
PubChem CID55765878
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
SMILESCc1nc(-c2ccccc2NC(=O)c2ccc(Cn3cncn3)cc2)no1
InChIInChI=1S/C19H16N6O2/c1-13-22-18(24-27-13)16-4-2-3-5-17(16)23-19(26)15-8-6-14(7-9-15)10-25-12-20-11-21-25/h2-9,11-12H,10H2,1H3,(H,23,26)
InChIKeyBDRSLDKDCHQXLZ-UHFFFAOYSA-N
XLogP2.94
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-ethylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46394811
4-iodo-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700547
4-(diethylsulfamoyl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 55700552
N-[4-(methylcarbamoyl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24603454
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 55763737
N-(3-iodo-4-methylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24590803
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 24681947
N-(4-tert-butylphenyl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 51306669
N-(1,3-benzothiazol-2-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 46508382
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,5-diphenyl-1,2,4-triazole-3-carboxamide
CID 55700588
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 42064323
N-(1-methylpyrazol-3-yl)-4-(1,2,4-triazol-1-ylmethyl)benzamide
CID 18152748

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide (CID 55765878) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is Cc1nc(-c2ccccc2NC(=O)c2ccc(Cn3cncn3)cc2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
The InChIKey is BDRSLDKDCHQXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-13-22-18(24-27-13)16-4-2-3-5-17(16)23-19(26)15-8-6-14(7-9-15)10-25-12-20-11-21-25/h2-9,11-12H,10H2,1H3,(H,23,26).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide has a molecular weight of 360.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55765878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).