1,3-benzoxazol-6-ylmethanamine

C8H8N2O — CID 55219292

IUPAC1,3-benzoxazol-6-ylmethanamine
SMILESNCc1ccc2ncoc2c1
InChIInChI=1S/C8H8N2O/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2
InChIKeyIOKCGCQCJAGOCL-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.29
Rot. Bonds1

About 1,3-benzoxazol-6-ylmethanamine

1,3-benzoxazol-6-ylmethanamine (PubChem CID 55219292) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 1,3-benzoxazol-6-ylmethanamine.

Molecular Properties

Compound Name1,3-benzoxazol-6-ylmethanamine
PubChem CID55219292
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name1,3-benzoxazol-6-ylmethanamine
SMILESNCc1ccc2ncoc2c1
InChIInChI=1S/C8H8N2O/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2
InChIKeyIOKCGCQCJAGOCL-UHFFFAOYSA-N
XLogP1.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-6-ylmethanamine?
The IUPAC name of 1,3-benzoxazol-6-ylmethanamine (CID 55219292) is 1,3-benzoxazol-6-ylmethanamine.
What is the SMILES notation for 1,3-benzoxazol-6-ylmethanamine?
The canonical SMILES for 1,3-benzoxazol-6-ylmethanamine is NCc1ccc2ncoc2c1.
What is the InChIKey of 1,3-benzoxazol-6-ylmethanamine?
The InChIKey is IOKCGCQCJAGOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,5H,4,9H2.
What are the key properties of 1,3-benzoxazol-6-ylmethanamine?
1,3-benzoxazol-6-ylmethanamine has a molecular weight of 148.16 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-6-ylmethanamine is sourced from PubChem (CID 55219292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).