2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole

C21H19N3O2 — CID 18435657

IUPAC2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole
SMILESCCC(Oc1ccc(/C=C/c2nc3ccccc3o2)cc1)n1ccnc1
InChIInChI=1S/C21H19N3O2/c1-2-21(24-14-13-22-15-24)25-17-10-7-16(8-11-17)9-12-20-23-18-5-3-4-6-19(18)26-20/h3-15,21H,2H2,1H3/b12-9+
InChIKeyCJDWINMCHWPYRL-FMIVXFBMSA-N
MW345.40 g/mol
LogP5.18
Rot. Bonds6

About 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole

2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole (PubChem CID 18435657) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole
PubChem CID18435657
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole
SMILESCCC(Oc1ccc(/C=C/c2nc3ccccc3o2)cc1)n1ccnc1
InChIInChI=1S/C21H19N3O2/c1-2-21(24-14-13-22-15-24)25-17-10-7-16(8-11-17)9-12-20-23-18-5-3-4-6-19(18)26-20/h3-15,21H,2H2,1H3/b12-9+
InChIKeyCJDWINMCHWPYRL-FMIVXFBMSA-N
XLogP5.18
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.40
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-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 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole?
The IUPAC name of 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole (CID 18435657) is 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole.
What is the SMILES notation for 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole?
The canonical SMILES for 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole is CCC(Oc1ccc(/C=C/c2nc3ccccc3o2)cc1)n1ccnc1.
What is the InChIKey of 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole?
The InChIKey is CJDWINMCHWPYRL-FMIVXFBMSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-2-21(24-14-13-22-15-24)25-17-10-7-16(8-11-17)9-12-20-23-18-5-3-4-6-19(18)26-20/h3-15,21H,2H2,1H3/b12-9+.
What are the key properties of 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole?
2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole has a molecular weight of 345.40 g/mol, XLogP of 5.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(1-imidazol-1-ylpropoxy)phenyl]ethenyl]-1,3-benzoxazole is sourced from PubChem (CID 18435657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).