2-(1,3-benzoxazol-2-yl)ethanamine

C9H10N2O — CID 23008875

IUPAC2-(1,3-benzoxazol-2-yl)ethanamine
SMILESNCCc1nc2ccccc2o1
InChIInChI=1S/C9H10N2O/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2
InChIKeyJZCFAEORPFKPGL-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.33
Rot. Bonds2

About 2-(1,3-benzoxazol-2-yl)ethanamine

2-(1,3-benzoxazol-2-yl)ethanamine (PubChem CID 23008875) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)ethanamine
PubChem CID23008875
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-(1,3-benzoxazol-2-yl)ethanamine
SMILESNCCc1nc2ccccc2o1
InChIInChI=1S/C9H10N2O/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2
InChIKeyJZCFAEORPFKPGL-UHFFFAOYSA-N
XLogP1.33
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)ethanamine?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)ethanamine (CID 23008875) is 2-(1,3-benzoxazol-2-yl)ethanamine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)ethanamine?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)ethanamine is NCCc1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)ethanamine?
The InChIKey is JZCFAEORPFKPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6,10H2.
What are the key properties of 2-(1,3-benzoxazol-2-yl)ethanamine?
2-(1,3-benzoxazol-2-yl)ethanamine has a molecular weight of 162.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)ethanamine is sourced from PubChem (CID 23008875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).