5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole

C20H19N5O — CID 8643026

IUPAC5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
SMILESCC(C)c1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C20H19N5O/c1-14(2)15-8-10-17(11-9-15)20-21-24-25(22-20)13-18-12-19(26-23-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3
InChIKeyJTOQEKCMGAKYBL-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.17
Rot. Bonds5

About 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole

5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole (PubChem CID 8643026) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
PubChem CID8643026
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole
SMILESCC(C)c1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1
InChIInChI=1S/C20H19N5O/c1-14(2)15-8-10-17(11-9-15)20-21-24-25(22-20)13-18-12-19(26-23-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3
InChIKeyJTOQEKCMGAKYBL-UHFFFAOYSA-N
XLogP4.17
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-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 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole (CID 8643026) is 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole is CC(C)c1ccc(-c2nnn(Cc3cc(-c4ccccc4)on3)n2)cc1.
What is the InChIKey of 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
The InChIKey is JTOQEKCMGAKYBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c1-14(2)15-8-10-17(11-9-15)20-21-24-25(22-20)13-18-12-19(26-23-18)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3.
What are the key properties of 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole?
5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole has a molecular weight of 345.41 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[[5-(4-propan-2-ylphenyl)tetrazol-2-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 8643026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).