3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine

C11H13ClN2O — CID 81434041

IUPAC3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C11H13ClN2O/c1-7(6-13)4-11-14-9-3-2-8(12)5-10(9)15-11/h2-3,5,7H,4,6,13H2,1H3
InChIKeyWRMYQRWNJOMPGI-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.62
Rot. Bonds3

About 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine

3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (PubChem CID 81434041) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
PubChem CID81434041
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
SMILESCC(CN)Cc1nc2ccc(Cl)cc2o1
InChIInChI=1S/C11H13ClN2O/c1-7(6-13)4-11-14-9-3-2-8(12)5-10(9)15-11/h2-3,5,7H,4,6,13H2,1H3
InChIKeyWRMYQRWNJOMPGI-UHFFFAOYSA-N
XLogP2.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine 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

6-chloro-2-(chloromethyl)-1,3-benzoxazole
CID 16767389
3-(5,7-dichloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 107676406
N-[2-(6-chloro-1,3-benzoxazol-2-yl)ethyl]propan-2-amine
CID 81432956
3-(5-tert-butyl-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 81072191
2-(2-methylbutyl)-1,3-benzoxazol-6-amine
CID 112694836
4-[(6-chloro-1,3-benzoxazol-2-yl)methyl]aniline
CID 81434208
6-chloro-2-pentan-3-yl-1,3-benzoxazole
CID 175910194
2-[(6-chloro-1,3-benzoxazol-2-yl)methyl]-2-ethylbutanoic acid
CID 81434287
3-(6-chloro-1,3-benzoxazol-2-yl)propanoic acid
CID 81433022
3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837473
6-(6-chloro-1,3-benzoxazol-2-yl)heptan-2-amine
CID 81434305
3-(6-chloro-1-ethylbenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113316610

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine (CID 81434041) is 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is CC(CN)Cc1nc2ccc(Cl)cc2o1.
What is the InChIKey of 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
The InChIKey is WRMYQRWNJOMPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7(6-13)4-11-14-9-3-2-8(12)5-10(9)15-11/h2-3,5,7H,4,6,13H2,1H3.
What are the key properties of 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine?
3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine has a molecular weight of 224.69 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 81434041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).