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

C8H8N2O2 — CID 2779751

IUPAC4-methoxy-1,2-benzoxazol-3-amine
SMILESCOc1cccc2onc(N)c12
InChIInChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)
InChIKeyYFNIGSJHKGKXEQ-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.42
Rot. Bonds1

About 4-methoxy-1,2-benzoxazol-3-amine

4-methoxy-1,2-benzoxazol-3-amine (PubChem CID 2779751) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-methoxy-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name4-methoxy-1,2-benzoxazol-3-amine
PubChem CID2779751
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4-methoxy-1,2-benzoxazol-3-amine
SMILESCOc1cccc2onc(N)c12
InChIInChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10)
InChIKeyYFNIGSJHKGKXEQ-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 4-methoxy-1,2-benzoxazol-3-amine?
The IUPAC name of 4-methoxy-1,2-benzoxazol-3-amine (CID 2779751) is 4-methoxy-1,2-benzoxazol-3-amine.
What is the SMILES notation for 4-methoxy-1,2-benzoxazol-3-amine?
The canonical SMILES for 4-methoxy-1,2-benzoxazol-3-amine is COc1cccc2onc(N)c12.
What is the InChIKey of 4-methoxy-1,2-benzoxazol-3-amine?
The InChIKey is YFNIGSJHKGKXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-11-5-3-2-4-6-7(5)8(9)10-12-6/h2-4H,1H3,(H2,9,10).
What are the key properties of 4-methoxy-1,2-benzoxazol-3-amine?
4-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 4-methoxy-1,2-benzoxazol-3-amine is sourced from PubChem (CID 2779751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).