6-amino-3-methyl-1,3-benzoxazol-2-one

C8H8N2O2 — CID 6486006

IUPAC6-amino-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(N)ccc21
InChIInChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3
InChIKeyFPNLXQSOWBNXCN-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.71
Rot. Bonds

About 6-amino-3-methyl-1,3-benzoxazol-2-one

6-amino-3-methyl-1,3-benzoxazol-2-one (PubChem CID 6486006) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 6-amino-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-3-methyl-1,3-benzoxazol-2-one
PubChem CID6486006
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name6-amino-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(N)ccc21
InChIInChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3
InChIKeyFPNLXQSOWBNXCN-UHFFFAOYSA-N
XLogP0.71
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.71
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 6-amino-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-3-methyl-1,3-benzoxazol-2-one (CID 6486006) is 6-amino-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(N)ccc21.
What is the InChIKey of 6-amino-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is FPNLXQSOWBNXCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,9H2,1H3.
What are the key properties of 6-amino-3-methyl-1,3-benzoxazol-2-one?
6-amino-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 164.16 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 6486006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).