2-cyclobutyl-1,3-benzoxazol-6-amine

C11H12N2O — CID 43117903

IUPAC2-cyclobutyl-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(C3CCC3)oc2c1
InChIInChI=1S/C11H12N2O/c12-8-4-5-9-10(6-8)14-11(13-9)7-2-1-3-7/h4-7H,1-3,12H2
InChIKeyAKLHATYMVFERQB-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.68
Rot. Bonds1

About 2-cyclobutyl-1,3-benzoxazol-6-amine

2-cyclobutyl-1,3-benzoxazol-6-amine (PubChem CID 43117903) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyclobutyl-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-cyclobutyl-1,3-benzoxazol-6-amine
PubChem CID43117903
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyclobutyl-1,3-benzoxazol-6-amine
SMILESNc1ccc2nc(C3CCC3)oc2c1
InChIInChI=1S/C11H12N2O/c12-8-4-5-9-10(6-8)14-11(13-9)7-2-1-3-7/h4-7H,1-3,12H2
InChIKeyAKLHATYMVFERQB-UHFFFAOYSA-N
XLogP2.68
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1,3-benzoxazol-6-amine?
The IUPAC name of 2-cyclobutyl-1,3-benzoxazol-6-amine (CID 43117903) is 2-cyclobutyl-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-cyclobutyl-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-cyclobutyl-1,3-benzoxazol-6-amine is Nc1ccc2nc(C3CCC3)oc2c1.
What is the InChIKey of 2-cyclobutyl-1,3-benzoxazol-6-amine?
The InChIKey is AKLHATYMVFERQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c12-8-4-5-9-10(6-8)14-11(13-9)7-2-1-3-7/h4-7H,1-3,12H2.
What are the key properties of 2-cyclobutyl-1,3-benzoxazol-6-amine?
2-cyclobutyl-1,3-benzoxazol-6-amine has a molecular weight of 188.23 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-1,3-benzoxazol-6-amine is sourced from PubChem (CID 43117903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).