5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one

C10H10N2O3 — CID 82095331

IUPAC5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one
SMILESCC(=O)c1cc(N)c2oc(=O)n(C)c2c1
InChIInChI=1S/C10H10N2O3/c1-5(13)6-3-7(11)9-8(4-6)12(2)10(14)15-9/h3-4H,11H2,1-2H3
InChIKeyFIDKPWJWCFDGKE-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.92
Rot. Bonds1

About 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one

5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one (PubChem CID 82095331) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one
PubChem CID82095331
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one
SMILESCC(=O)c1cc(N)c2oc(=O)n(C)c2c1
InChIInChI=1S/C10H10N2O3/c1-5(13)6-3-7(11)9-8(4-6)12(2)10(14)15-9/h3-4H,11H2,1-2H3
InChIKeyFIDKPWJWCFDGKE-UHFFFAOYSA-N
XLogP0.92
TPSA78.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one (CID 82095331) is 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one is CC(=O)c1cc(N)c2oc(=O)n(C)c2c1.
What is the InChIKey of 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is FIDKPWJWCFDGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-5(13)6-3-7(11)9-8(4-6)12(2)10(14)15-9/h3-4H,11H2,1-2H3.
What are the key properties of 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one?
5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 206.20 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-7-amino-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 82095331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).