3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride

C13H14ClN3O — CID 70394939

IUPAC3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride
SMILESCC(Cc1noc2ccccc12)n1ccnc1.Cl
InChIInChI=1S/C13H13N3O.ClH/c1-10(16-7-6-14-9-16)8-12-11-4-2-3-5-13(11)17-15-12;/h2-7,9-10H,8H2,1H3;1H
InChIKeyXNYCZOBBEQSYIV-UHFFFAOYSA-N
MW263.73 g/mol
LogP3.25
Rot. Bonds3

About 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride

3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride (PubChem CID 70394939) has the molecular formula C13H14ClN3O and a molecular weight of 263.73 g/mol. Its IUPAC name is 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride.

Molecular Properties

Compound Name3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride
PubChem CID70394939
Molecular FormulaC13H14ClN3O
Molecular Weight263.73 g/mol
Exact Mass263.08
IUPAC Name3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride
SMILESCC(Cc1noc2ccccc12)n1ccnc1.Cl
InChIInChI=1S/C13H13N3O.ClH/c1-10(16-7-6-14-9-16)8-12-11-4-2-3-5-13(11)17-15-12;/h2-7,9-10H,8H2,1H3;1H
InChIKeyXNYCZOBBEQSYIV-UHFFFAOYSA-N
XLogP3.25
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-methylpropyl)-1,2-benzoxazole
CID 20826787
3-(1-imidazol-1-yl-2-phenylethyl)-1,2-benzoxazole
CID 14575048
2-(1,2-benzoxazol-3-yl)-1-methoxyethanol
CID 152805743
2-hydroxypropane-1,2,3-tricarboxylic acid;3-(1-imidazol-1-yl-2-methylpropyl)-1,2-benzoxazole
CID 22165684
3-[(2,6-difluorophenyl)methyl]-5-(2-imidazol-1-ylpropyl)-1,2,4-oxadiazole
CID 138003210
3-(bromomethyl)-1,2-benzoxazole
CID 3499189
3-(methoxymethyl)-1,2-benzoxazole
CID 119083448
3-(2,2-dimethylpropyl)-1,2-benzoxazole;methane
CID 162069739
3-(3-bromopropyl)-1,2-benzoxazole
CID 118498285
3-(imidazol-1-ylmethyl)benzo[f][1,2]benzoxazole;hydrochloride
CID 22165654
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
3-[(4-methoxyphenyl)methyl]-1,2-benzoxazole
CID 91419468

Frequently Asked Questions

What is the IUPAC name of 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride?
The IUPAC name of 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride (CID 70394939) is 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride.
What is the SMILES notation for 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride?
The canonical SMILES for 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride is CC(Cc1noc2ccccc12)n1ccnc1.Cl.
What is the InChIKey of 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride?
The InChIKey is XNYCZOBBEQSYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.ClH/c1-10(16-7-6-14-9-16)8-12-11-4-2-3-5-13(11)17-15-12;/h2-7,9-10H,8H2,1H3;1H.
What are the key properties of 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride?
3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride has a molecular weight of 263.73 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-imidazol-1-ylpropyl)-1,2-benzoxazole;hydrochloride is sourced from PubChem (CID 70394939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).