3-methoxy-1,2-benzoxazol-5-amine

C8H8N2O2 — CID 83668440

IUPAC3-methoxy-1,2-benzoxazol-5-amine
SMILESCOc1noc2ccc(N)cc12
InChIInChI=1S/C8H8N2O2/c1-11-8-6-4-5(9)2-3-7(6)12-10-8/h2-4H,9H2,1H3
InChIKeyVPDMTEHAEFEQMK-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.42
Rot. Bonds1

About 3-methoxy-1,2-benzoxazol-5-amine

3-methoxy-1,2-benzoxazol-5-amine (PubChem CID 83668440) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 3-methoxy-1,2-benzoxazol-5-amine.

Molecular Properties

Compound Name3-methoxy-1,2-benzoxazol-5-amine
PubChem CID83668440
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name3-methoxy-1,2-benzoxazol-5-amine
SMILESCOc1noc2ccc(N)cc12
InChIInChI=1S/C8H8N2O2/c1-11-8-6-4-5(9)2-3-7(6)12-10-8/h2-4H,9H2,1H3
InChIKeyVPDMTEHAEFEQMK-UHFFFAOYSA-N
XLogP1.42
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1,2-benzoxazol-5-amine?
The IUPAC name of 3-methoxy-1,2-benzoxazol-5-amine (CID 83668440) is 3-methoxy-1,2-benzoxazol-5-amine.
What is the SMILES notation for 3-methoxy-1,2-benzoxazol-5-amine?
The canonical SMILES for 3-methoxy-1,2-benzoxazol-5-amine is COc1noc2ccc(N)cc12.
What is the InChIKey of 3-methoxy-1,2-benzoxazol-5-amine?
The InChIKey is VPDMTEHAEFEQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-11-8-6-4-5(9)2-3-7(6)12-10-8/h2-4H,9H2,1H3.
What are the key properties of 3-methoxy-1,2-benzoxazol-5-amine?
3-methoxy-1,2-benzoxazol-5-amine has a molecular weight of 164.16 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1,2-benzoxazol-5-amine is sourced from PubChem (CID 83668440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).