4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

C24H20N4O — CID 155672459

IUPAC4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESc1ccc(-c2ccc(C3=NC(Cn4cncn4)(c4ccccc4)CO3)cc2)cc1
InChIInChI=1S/C24H20N4O/c1-3-7-19(8-4-1)20-11-13-21(14-12-20)23-27-24(16-29-23,15-28-18-25-17-26-28)22-9-5-2-6-10-22/h1-14,17-18H,15-16H2
InChIKeyXDNJVFGQQWLJJB-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.32
Rot. Bonds5

About 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole

4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (PubChem CID 155672459) has the molecular formula C24H20N4O and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.

Molecular Properties

Compound Name4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
PubChem CID155672459
Molecular FormulaC24H20N4O
Molecular Weight380.45 g/mol
Exact Mass380.16
IUPAC Name4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole
SMILESc1ccc(-c2ccc(C3=NC(Cn4cncn4)(c4ccccc4)CO3)cc2)cc1
InChIInChI=1S/C24H20N4O/c1-3-7-19(8-4-1)20-11-13-21(14-12-20)23-27-24(16-29-23,15-28-18-25-17-26-28)22-9-5-2-6-10-22/h1-14,17-18H,15-16H2
InChIKeyXDNJVFGQQWLJJB-UHFFFAOYSA-N
XLogP4.32
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole 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 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The IUPAC name of 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole (CID 155672459) is 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole.
What is the SMILES notation for 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The canonical SMILES for 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is c1ccc(-c2ccc(C3=NC(Cn4cncn4)(c4ccccc4)CO3)cc2)cc1.
What is the InChIKey of 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
The InChIKey is XDNJVFGQQWLJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O/c1-3-7-19(8-4-1)20-11-13-21(14-12-20)23-27-24(16-29-23,15-28-18-25-17-26-28)22-9-5-2-6-10-22/h1-14,17-18H,15-16H2.
What are the key properties of 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole?
4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole has a molecular weight of 380.45 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(4-phenylphenyl)-4-(1,2,4-triazol-1-ylmethyl)-5H-1,3-oxazole is sourced from PubChem (CID 155672459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).