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

C8H8N2O2 — CID 46387

IUPAC5-methoxy-1,3-benzoxazol-2-amine
SMILESCOC1=CC2=C(C=C1)OC(=N2)N
InChIInChI=1S/C8H8N2O2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
InChIKeyYCBIFQTZAQVLTQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.80
Rot. Bonds1

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

5-Methoxy-1,3-benzoxazol-2-amine (PubChem CID 46387) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 5-methoxy-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-Methoxy-1,3-benzoxazol-2-amine
PubChem CID46387
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name5-methoxy-1,3-benzoxazol-2-amine
SMILESCOC1=CC2=C(C=C1)OC(=N2)N
InChIInChI=1S/C8H8N2O2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10)
InChIKeyYCBIFQTZAQVLTQ-UHFFFAOYSA-N
XLogP1.80
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity165

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-Methoxy-1,3-benzoxazol-2-amine?
The IUPAC name of 5-Methoxy-1,3-benzoxazol-2-amine (CID 46387) is 5-methoxy-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-Methoxy-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-Methoxy-1,3-benzoxazol-2-amine is COC1=CC2=C(C=C1)OC(=N2)N.
What is the InChIKey of 5-Methoxy-1,3-benzoxazol-2-amine?
The InChIKey is YCBIFQTZAQVLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-11-5-2-3-7-6(4-5)10-8(9)12-7/h2-4H,1H3,(H2,9,10).
What are the key properties of 5-Methoxy-1,3-benzoxazol-2-amine?
5-Methoxy-1,3-benzoxazol-2-amine has a molecular weight of 164.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Methoxy-1,3-benzoxazol-2-amine is sourced from PubChem (CID 46387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).