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

C8H8N2O2 — CID 10678579

IUPAC6-methoxy-1,2-benzoxazol-3-amine
SMILESCOc1ccc2c(N)noc2c1
InChIInChI=1S/C8H8N2O2/c1-11-5-2-3-6-7(4-5)12-10-8(6)9/h2-4H,1H3,(H2,9,10)
InChIKeyUYWCFQVFVCXHCP-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.42
Rot. Bonds1

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

6-methoxy-1,2-benzoxazol-3-amine (PubChem CID 10678579) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-methoxy-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name6-methoxy-1,2-benzoxazol-3-amine
PubChem CID10678579
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-methoxy-1,2-benzoxazol-3-amine
SMILESCOc1ccc2c(N)noc2c1
InChIInChI=1S/C8H8N2O2/c1-11-5-2-3-6-7(4-5)12-10-8(6)9/h2-4H,1H3,(H2,9,10)
InChIKeyUYWCFQVFVCXHCP-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

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,2-benzoxazol-3-amine?
The IUPAC name of 6-methoxy-1,2-benzoxazol-3-amine (CID 10678579) is 6-methoxy-1,2-benzoxazol-3-amine.
What is the SMILES notation for 6-methoxy-1,2-benzoxazol-3-amine?
The canonical SMILES for 6-methoxy-1,2-benzoxazol-3-amine is COc1ccc2c(N)noc2c1.
What is the InChIKey of 6-methoxy-1,2-benzoxazol-3-amine?
The InChIKey is UYWCFQVFVCXHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-11-5-2-3-6-7(4-5)12-10-8(6)9/h2-4H,1H3,(H2,9,10).
What are the key properties of 6-methoxy-1,2-benzoxazol-3-amine?
6-methoxy-1,2-benzoxazol-3-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 6-methoxy-1,2-benzoxazol-3-amine is sourced from PubChem (CID 10678579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).