N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

C19H16N6O2 — CID 53170232

IUPACN-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(C)cc4)nn3)no2)cc1
InChIInChI=1S/C19H16N6O2/c1-12-3-7-14(8-4-12)20-18(26)19-21-17(23-27-19)16-11-25(24-22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,26)
InChIKeyNAYBNVDCRZKWNK-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.19
Rot. Bonds4

About N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide

N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53170232) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53170232
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC NameN-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(C)cc4)nn3)no2)cc1
InChIInChI=1S/C19H16N6O2/c1-12-3-7-14(8-4-12)20-18(26)19-21-17(23-27-19)16-11-25(24-22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,26)
InChIKeyNAYBNVDCRZKWNK-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide (CID 53170232) is N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is Cc1ccc(NC(=O)c2nc(-c3cn(-c4ccc(C)cc4)nn3)no2)cc1.
What is the InChIKey of N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is NAYBNVDCRZKWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-12-3-7-14(8-4-12)20-18(26)19-21-17(23-27-19)16-11-25(24-22-16)15-9-5-13(2)6-10-15/h3-11H,1-2H3,(H,20,26).
What are the key properties of N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide?
N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 360.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-3-[1-(4-methylphenyl)triazol-4-yl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53170232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).