2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine

C11H13ClN2O — CID 65221798

IUPAC2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
SMILESCCC(CN)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C11H13ClN2O/c1-2-7(6-13)11-14-9-5-8(12)3-4-10(9)15-11/h3-5,7H,2,6,13H2,1H3
InChIKeyXDNZYDWAQVDXPS-UHFFFAOYSA-N
MW224.69 g/mol
LogP2.93
Rot. Bonds3

About 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine

2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine (PubChem CID 65221798) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
PubChem CID65221798
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine
SMILESCCC(CN)c1nc2cc(Cl)ccc2o1
InChIInChI=1S/C11H13ClN2O/c1-2-7(6-13)11-14-9-5-8(12)3-4-10(9)15-11/h3-5,7H,2,6,13H2,1H3
InChIKeyXDNZYDWAQVDXPS-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine?
The IUPAC name of 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine (CID 65221798) is 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine.
What is the SMILES notation for 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine?
The canonical SMILES for 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine is CCC(CN)c1nc2cc(Cl)ccc2o1.
What is the InChIKey of 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine?
The InChIKey is XDNZYDWAQVDXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-2-7(6-13)11-14-9-5-8(12)3-4-10(9)15-11/h3-5,7H,2,6,13H2,1H3.
What are the key properties of 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine?
2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine has a molecular weight of 224.69 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-benzoxazol-2-yl)butan-1-amine is sourced from PubChem (CID 65221798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).