1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine

C11H13ClN2O — CID 105482606

IUPAC1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1onc2c(Cl)cccc12
InChIInChI=1S/C11H13ClN2O/c1-7(13-2)6-10-8-4-3-5-9(12)11(8)14-15-10/h3-5,7,13H,6H2,1-2H3
InChIKeyXXYSEUXLSQVGML-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.63
Rot. Bonds3

About 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine

1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine (PubChem CID 105482606) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine
PubChem CID105482606
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine
SMILESCNC(C)Cc1onc2c(Cl)cccc12
InChIInChI=1S/C11H13ClN2O/c1-7(13-2)6-10-8-4-3-5-9(12)11(8)14-15-10/h3-5,7,13H,6H2,1-2H3
InChIKeyXXYSEUXLSQVGML-UHFFFAOYSA-N
XLogP2.63
TPSA38.06 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-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

2-(7-chloro-2,1-benzoxazol-3-yl)acetic acid
CID 105465494
1-(8-chloroquinazolin-2-yl)-N-methylpropan-2-amine
CID 105497206
1-[5-[1-(2,3-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868131
1-[5-[(4-chloronaphthalen-1-yl)oxymethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120869078
2-chloro-6-[2-(methylamino)propyl]phenol
CID 84733707
1-(7-chloro-1-benzothiophen-2-yl)-N-methylpropan-2-amine
CID 117196819
2-(7-methoxy-2,1-benzoxazol-3-yl)-N-methylethanamine
CID 105458924
1-[5-(3-chloro-2-nitrophenyl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120866559
1-(4-chloroquinazolin-2-yl)-N-methylpropan-2-amine
CID 105497225
(2R)-N-methyl-1-naphthalen-1-ylpropan-2-amine
CID 142942326
ethyl 7-chloro-2,1-benzoxazole-3-carboxylate
CID 169494989
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819

Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine?
The IUPAC name of 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine (CID 105482606) is 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine is CNC(C)Cc1onc2c(Cl)cccc12.
What is the InChIKey of 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine?
The InChIKey is XXYSEUXLSQVGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-7(13-2)6-10-8-4-3-5-9(12)11(8)14-15-10/h3-5,7,13H,6H2,1-2H3.
What are the key properties of 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine?
1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine has a molecular weight of 224.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-2,1-benzoxazol-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 105482606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).