3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole

C17H13N3O — CID 14575017

IUPAC3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole
SMILESc1ccc(-c2ccc3onc(Cn4ccnc4)c3c2)cc1
InChIInChI=1S/C17H13N3O/c1-2-4-13(5-3-1)14-6-7-17-15(10-14)16(19-21-17)11-20-9-8-18-12-20/h1-10,12H,11H2
InChIKeyDDHWWSUCFODLFX-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.74
Rot. Bonds3

About 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole

3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole (PubChem CID 14575017) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole.

Molecular Properties

Compound Name3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole
PubChem CID14575017
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole
SMILESc1ccc(-c2ccc3onc(Cn4ccnc4)c3c2)cc1
InChIInChI=1S/C17H13N3O/c1-2-4-13(5-3-1)14-6-7-17-15(10-14)16(19-21-17)11-20-9-8-18-12-20/h1-10,12H,11H2
InChIKeyDDHWWSUCFODLFX-UHFFFAOYSA-N
XLogP3.74
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole 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 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole?
The IUPAC name of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole (CID 14575017) is 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole.
What is the SMILES notation for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole?
The canonical SMILES for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole is c1ccc(-c2ccc3onc(Cn4ccnc4)c3c2)cc1.
What is the InChIKey of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole?
The InChIKey is DDHWWSUCFODLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-2-4-13(5-3-1)14-6-7-17-15(10-14)16(19-21-17)11-20-9-8-18-12-20/h1-10,12H,11H2.
What are the key properties of 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole?
3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole has a molecular weight of 275.31 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(imidazol-1-ylmethyl)-5-phenyl-1,2-benzoxazole is sourced from PubChem (CID 14575017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).