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

C32H27N5O — CID 90897050

IUPAC2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)Cc1cc(-c2nnc(-c3ccccc3)n2-c2ccccc2)ccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C32H27N5O/c1-22(2)20-26-21-25(18-19-28(26)32-36-35-31(38-32)24-14-8-4-9-15-24)30-34-33-29(23-12-6-3-7-13-23)37(30)27-16-10-5-11-17-27/h3-19,21-22H,20H2,1-2H3
InChIKeyBOGRJYGFLPNXTL-UHFFFAOYSA-N
MW497.60 g/mol
LogP7.52
Rot. Bonds7

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

2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 90897050) has the molecular formula C32H27N5O and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID90897050
Molecular FormulaC32H27N5O
Molecular Weight497.60 g/mol
Exact Mass497.22
IUPAC Name2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole
SMILESCC(C)Cc1cc(-c2nnc(-c3ccccc3)n2-c2ccccc2)ccc1-c1nnc(-c2ccccc2)o1
InChIInChI=1S/C32H27N5O/c1-22(2)20-26-21-25(18-19-28(26)32-36-35-31(38-32)24-14-8-4-9-15-24)30-34-33-29(23-12-6-3-7-13-23)37(30)27-16-10-5-11-17-27/h3-19,21-22H,20H2,1-2H3
InChIKeyBOGRJYGFLPNXTL-UHFFFAOYSA-N
XLogP7.52
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.60
LogP ≤ 57.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

Cambridge id 6992056
CID 2921894
2-[(5-Cyclopropyl-4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 16294362
2-[[4-(4-Fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 16532061
2-[[5-(2-Fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 16538211
2-[1-[[4,5-Bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 24470953
2-[1-[[4,5-Bis(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 24470954
2-[[4-(2,4-Difluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 30885534
2-[[5-(4-Fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 36013127
2-[[5-(2-Fluorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 46602151
2-[1-[[4-(4-Fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 46824333
2-[1-[[5-(4-Fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-5-phenyl-1,3,4-oxadiazole
CID 55384215
N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 56450743

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole (CID 90897050) is 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole is CC(C)Cc1cc(-c2nnc(-c3ccccc3)n2-c2ccccc2)ccc1-c1nnc(-c2ccccc2)o1.
What is the InChIKey of 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is BOGRJYGFLPNXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N5O/c1-22(2)20-26-21-25(18-19-28(26)32-36-35-31(38-32)24-14-8-4-9-15-24)30-34-33-29(23-12-6-3-7-13-23)37(30)27-16-10-5-11-17-27/h3-19,21-22H,20H2,1-2H3.
What are the key properties of 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole?
2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 497.60 g/mol, XLogP of 7.52, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)-2-(2-methylpropyl)phenyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 90897050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).