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

C12H14N2O — CID 83153833

IUPAC2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine
SMILESCC(c1nc2ccc(N)cc2o1)C1CC1
InChIInChI=1S/C12H14N2O/c1-7(8-2-3-8)12-14-10-5-4-9(13)6-11(10)15-12/h4-8H,2-3,13H2,1H3
InChIKeyOWAPXVBACZQUEY-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.92
Rot. Bonds2

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

2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine (PubChem CID 83153833) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine.

Molecular Properties

Compound Name2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine
PubChem CID83153833
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine
SMILESCC(c1nc2ccc(N)cc2o1)C1CC1
InChIInChI=1S/C12H14N2O/c1-7(8-2-3-8)12-14-10-5-4-9(13)6-11(10)15-12/h4-8H,2-3,13H2,1H3
InChIKeyOWAPXVBACZQUEY-UHFFFAOYSA-N
XLogP2.92
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.92
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-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine?
The IUPAC name of 2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine (CID 83153833) is 2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine.
What is the SMILES notation for 2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine?
The canonical SMILES for 2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine is CC(c1nc2ccc(N)cc2o1)C1CC1.
What is the InChIKey of 2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine?
The InChIKey is OWAPXVBACZQUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-7(8-2-3-8)12-14-10-5-4-9(13)6-11(10)15-12/h4-8H,2-3,13H2,1H3.
What are the key properties of 2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine?
2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine has a molecular weight of 202.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylethyl)-1,3-benzoxazol-6-amine is sourced from PubChem (CID 83153833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).