6-(aminomethyl)-1,2-benzoxazol-3-amine

C8H9N3O — CID 22064731

IUPAC6-(aminomethyl)-1,2-benzoxazol-3-amine
SMILESNCc1ccc2c(N)noc2c1
InChIInChI=1S/C8H9N3O/c9-4-5-1-2-6-7(3-5)12-11-8(6)10/h1-3H,4,9H2,(H2,10,11)
InChIKeyGHYKJSGZYRADNG-UHFFFAOYSA-N
MW163.18 g/mol
LogP0.87
Rot. Bonds1

About 6-(aminomethyl)-1,2-benzoxazol-3-amine

6-(aminomethyl)-1,2-benzoxazol-3-amine (PubChem CID 22064731) has the molecular formula C8H9N3O and a molecular weight of 163.18 g/mol. Its IUPAC name is 6-(aminomethyl)-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-(aminomethyl)-1,2-benzoxazol-3-amine
PubChem CID22064731
Molecular FormulaC8H9N3O
Molecular Weight163.18 g/mol
Exact Mass163.07
IUPAC Name6-(aminomethyl)-1,2-benzoxazol-3-amine
SMILESNCc1ccc2c(N)noc2c1
InChIInChI=1S/C8H9N3O/c9-4-5-1-2-6-7(3-5)12-11-8(6)10/h1-3H,4,9H2,(H2,10,11)
InChIKeyGHYKJSGZYRADNG-UHFFFAOYSA-N
XLogP0.87
TPSA78.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-1,2-benzoxazol-3-amine?
The IUPAC name of 6-(aminomethyl)-1,2-benzoxazol-3-amine (CID 22064731) is 6-(aminomethyl)-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-(aminomethyl)-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-(aminomethyl)-1,2-benzoxazol-3-amine is NCc1ccc2c(N)noc2c1.
What is the InChIKey of 6-(aminomethyl)-1,2-benzoxazol-3-amine?
The InChIKey is GHYKJSGZYRADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O/c9-4-5-1-2-6-7(3-5)12-11-8(6)10/h1-3H,4,9H2,(H2,10,11).
What are the key properties of 6-(aminomethyl)-1,2-benzoxazol-3-amine?
6-(aminomethyl)-1,2-benzoxazol-3-amine has a molecular weight of 163.18 g/mol, XLogP of 0.87, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-1,2-benzoxazol-3-amine is sourced from PubChem (CID 22064731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).