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

C10H10N2O — CID 166607767

IUPAC6-cyclopropyl-2,1-benzoxazol-3-amine
SMILESNc1onc2cc(C3CC3)ccc12
InChIInChI=1S/C10H10N2O/c11-10-8-4-3-7(6-1-2-6)5-9(8)12-13-10/h3-6H,1-2,11H2
InChIKeyNGYZFDKAHJVPAX-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.29
Rot. Bonds1

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

6-cyclopropyl-2,1-benzoxazol-3-amine (PubChem CID 166607767) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 6-cyclopropyl-2,1-benzoxazol-3-amine.

Molecular Properties

Compound Name6-cyclopropyl-2,1-benzoxazol-3-amine
PubChem CID166607767
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name6-cyclopropyl-2,1-benzoxazol-3-amine
SMILESNc1onc2cc(C3CC3)ccc12
InChIInChI=1S/C10H10N2O/c11-10-8-4-3-7(6-1-2-6)5-9(8)12-13-10/h3-6H,1-2,11H2
InChIKeyNGYZFDKAHJVPAX-UHFFFAOYSA-N
XLogP2.29
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2,1-benzoxazol-3-amine?
The IUPAC name of 6-cyclopropyl-2,1-benzoxazol-3-amine (CID 166607767) is 6-cyclopropyl-2,1-benzoxazol-3-amine.
What is the SMILES notation for 6-cyclopropyl-2,1-benzoxazol-3-amine?
The canonical SMILES for 6-cyclopropyl-2,1-benzoxazol-3-amine is Nc1onc2cc(C3CC3)ccc12.
What is the InChIKey of 6-cyclopropyl-2,1-benzoxazol-3-amine?
The InChIKey is NGYZFDKAHJVPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c11-10-8-4-3-7(6-1-2-6)5-9(8)12-13-10/h3-6H,1-2,11H2.
What are the key properties of 6-cyclopropyl-2,1-benzoxazol-3-amine?
6-cyclopropyl-2,1-benzoxazol-3-amine has a molecular weight of 174.20 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2,1-benzoxazol-3-amine is sourced from PubChem (CID 166607767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).