2-ethyl-1,3-benzoxazol-7-amine

C9H10N2O — CID 28752253

IUPAC2-ethyl-1,3-benzoxazol-7-amine
SMILESCCc1nc2cccc(N)c2o1
InChIInChI=1S/C9H10N2O/c1-2-8-11-7-5-3-4-6(10)9(7)12-8/h3-5H,2,10H2,1H3
InChIKeyCPMMZRUQXBOQMO-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.97
Rot. Bonds1

About 2-ethyl-1,3-benzoxazol-7-amine

2-ethyl-1,3-benzoxazol-7-amine (PubChem CID 28752253) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-ethyl-1,3-benzoxazol-7-amine.

Molecular Properties

Compound Name2-ethyl-1,3-benzoxazol-7-amine
PubChem CID28752253
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-ethyl-1,3-benzoxazol-7-amine
SMILESCCc1nc2cccc(N)c2o1
InChIInChI=1S/C9H10N2O/c1-2-8-11-7-5-3-4-6(10)9(7)12-8/h3-5H,2,10H2,1H3
InChIKeyCPMMZRUQXBOQMO-UHFFFAOYSA-N
XLogP1.97
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.97
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-ethyl-1,3-benzoxazol-7-amine?
The IUPAC name of 2-ethyl-1,3-benzoxazol-7-amine (CID 28752253) is 2-ethyl-1,3-benzoxazol-7-amine.
What is the SMILES notation for 2-ethyl-1,3-benzoxazol-7-amine?
The canonical SMILES for 2-ethyl-1,3-benzoxazol-7-amine is CCc1nc2cccc(N)c2o1.
What is the InChIKey of 2-ethyl-1,3-benzoxazol-7-amine?
The InChIKey is CPMMZRUQXBOQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-8-11-7-5-3-4-6(10)9(7)12-8/h3-5H,2,10H2,1H3.
What are the key properties of 2-ethyl-1,3-benzoxazol-7-amine?
2-ethyl-1,3-benzoxazol-7-amine has a molecular weight of 162.19 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3-benzoxazol-7-amine is sourced from PubChem (CID 28752253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).