5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole

C26H21N7O — CID 139232910

IUPAC5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(-n2cncn2)c1C1ON=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C26H21N7O/c1-19-23(25(31-18-27-17-28-31)33(29-19)22-15-9-4-10-16-22)26-32(21-13-7-3-8-14-21)24(30-34-26)20-11-5-2-6-12-20/h2-18,26H,1H3
InChIKeyQQUVRTBNAQNHDR-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.66
Rot. Bonds5

About 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole

5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole (PubChem CID 139232910) has the molecular formula C26H21N7O and a molecular weight of 447.50 g/mol. Its IUPAC name is 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole
PubChem CID139232910
Molecular FormulaC26H21N7O
Molecular Weight447.50 g/mol
Exact Mass447.18
IUPAC Name5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole
SMILESCc1nn(-c2ccccc2)c(-n2cncn2)c1C1ON=C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C26H21N7O/c1-19-23(25(31-18-27-17-28-31)33(29-19)22-15-9-4-10-16-22)26-32(21-13-7-3-8-14-21)24(30-34-26)20-11-5-2-6-12-20/h2-18,26H,1H3
InChIKeyQQUVRTBNAQNHDR-UHFFFAOYSA-N
XLogP4.66
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole (CID 139232910) is 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole is Cc1nn(-c2ccccc2)c(-n2cncn2)c1C1ON=C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole?
The InChIKey is QQUVRTBNAQNHDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N7O/c1-19-23(25(31-18-27-17-28-31)33(29-19)22-15-9-4-10-16-22)26-32(21-13-7-3-8-14-21)24(30-34-26)20-11-5-2-6-12-20/h2-18,26H,1H3.
What are the key properties of 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole?
5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole has a molecular weight of 447.50 g/mol, XLogP of 4.66, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-1-phenyl-5-(1,2,4-triazol-1-yl)pyrazol-4-yl]-3,4-diphenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 139232910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).