4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine

C8H12N2O — CID 23006263

IUPAC4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine
SMILESNCc1noc2c1CCCC2
InChIInChI=1S/C8H12N2O/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-5,9H2
InChIKeyFKSNGQGSTFVDQX-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.01
Rot. Bonds1

About 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine

4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine (PubChem CID 23006263) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine.

Molecular Properties

Compound Name4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine
PubChem CID23006263
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine
SMILESNCc1noc2c1CCCC2
InChIInChI=1S/C8H12N2O/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-5,9H2
InChIKeyFKSNGQGSTFVDQX-UHFFFAOYSA-N
XLogP1.01
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine?
The IUPAC name of 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine (CID 23006263) is 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine.
What is the SMILES notation for 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine?
The canonical SMILES for 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine is NCc1noc2c1CCCC2.
What is the InChIKey of 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine?
The InChIKey is FKSNGQGSTFVDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c9-5-7-6-3-1-2-4-8(6)11-10-7/h1-5,9H2.
What are the key properties of 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine?
4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine has a molecular weight of 152.20 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethanamine is sourced from PubChem (CID 23006263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).