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

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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).