3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine

C10H16N2O2 — CID 10535889

IUPAC3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine
SMILESCCOc1noc2c1C(NC)CCC2
InChIInChI=1S/C10H16N2O2/c1-3-13-10-9-7(11-2)5-4-6-8(9)14-12-10/h7,11H,3-6H2,1-2H3
InChIKeyXJPQUDFHEHRBJU-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.67
Rot. Bonds3

About 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine

3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine (PubChem CID 10535889) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine
PubChem CID10535889
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine
SMILESCCOc1noc2c1C(NC)CCC2
InChIInChI=1S/C10H16N2O2/c1-3-13-10-9-7(11-2)5-4-6-8(9)14-12-10/h7,11H,3-6H2,1-2H3
InChIKeyXJPQUDFHEHRBJU-UHFFFAOYSA-N
XLogP1.67
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine?
The IUPAC name of 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine (CID 10535889) is 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine?
The canonical SMILES for 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine is CCOc1noc2c1C(NC)CCC2.
What is the InChIKey of 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine?
The InChIKey is XJPQUDFHEHRBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-3-13-10-9-7(11-2)5-4-6-8(9)14-12-10/h7,11H,3-6H2,1-2H3.
What are the key properties of 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine?
3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine has a molecular weight of 196.25 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-amine is sourced from PubChem (CID 10535889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).