5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide

C24H18N6O3 — CID 155946723

IUPAC5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H18N6O3/c1-15-21(23(31)25-19-11-7-18(8-12-19)22-26-24(32)33-28-22)27-29-30(15)20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-14H,1H3,(H,25,31)(H,26,28,32)
InChIKeyVZJCSTXADFTMFM-UHFFFAOYSA-N
MW438.45 g/mol
LogP3.84
Rot. Bonds5

About 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide

5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide (PubChem CID 155946723) has the molecular formula C24H18N6O3 and a molecular weight of 438.45 g/mol. Its IUPAC name is 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
PubChem CID155946723
Molecular FormulaC24H18N6O3
Molecular Weight438.45 g/mol
Exact Mass438.14
IUPAC Name5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)nnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C24H18N6O3/c1-15-21(23(31)25-19-11-7-18(8-12-19)22-26-24(32)33-28-22)27-29-30(15)20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-14H,1H3,(H,25,31)(H,26,28,32)
InChIKeyVZJCSTXADFTMFM-UHFFFAOYSA-N
XLogP3.84
TPSA118.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide (CID 155946723) is 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(-c3noc(=O)[nH]3)cc2)nnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide?
The InChIKey is VZJCSTXADFTMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N6O3/c1-15-21(23(31)25-19-11-7-18(8-12-19)22-26-24(32)33-28-22)27-29-30(15)20-13-9-17(10-14-20)16-5-3-2-4-6-16/h2-14H,1H3,(H,25,31)(H,26,28,32).
What are the key properties of 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide?
5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide has a molecular weight of 438.45 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-phenylphenyl)triazole-4-carboxamide is sourced from PubChem (CID 155946723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).