2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole

C25H20N4O — CID 134142144

IUPAC2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole
SMILESCc1ccccc1-c1cn(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)nn1
InChIInChI=1S/C25H20N4O/c1-18-10-8-9-15-21(18)22-16-29(28-27-22)17-23-26-24(19-11-4-2-5-12-19)25(30-23)20-13-6-3-7-14-20/h2-16H,17H2,1H3
InChIKeyLPADZRHSKBGYSK-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.62
Rot. Bonds5

About 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole

2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole (PubChem CID 134142144) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole
PubChem CID134142144
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC Name2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole
SMILESCc1ccccc1-c1cn(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)nn1
InChIInChI=1S/C25H20N4O/c1-18-10-8-9-15-21(18)22-16-29(28-27-22)17-23-26-24(19-11-4-2-5-12-19)25(30-23)20-13-6-3-7-14-20/h2-16H,17H2,1H3
InChIKeyLPADZRHSKBGYSK-UHFFFAOYSA-N
XLogP5.62
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole (CID 134142144) is 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole is Cc1ccccc1-c1cn(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)nn1.
What is the InChIKey of 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole?
The InChIKey is LPADZRHSKBGYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-18-10-8-9-15-21(18)22-16-29(28-27-22)17-23-26-24(19-11-4-2-5-12-19)25(30-23)20-13-6-3-7-14-20/h2-16H,17H2,1H3.
What are the key properties of 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole?
2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole has a molecular weight of 392.46 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylphenyl)triazol-1-yl]methyl]-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 134142144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).