6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one

C8H7FN2O2 — CID 15675937

IUPAC6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1c(N)cc2oc(=O)[nH]c2c1F
InChIInChI=1S/C8H7FN2O2/c1-3-4(10)2-5-7(6(3)9)11-8(12)13-5/h2H,10H2,1H3,(H,11,12)
InChIKeyZKWASRAXLPGCFP-UHFFFAOYSA-N
MW182.15 g/mol
LogP1.15
Rot. Bonds

About 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one

6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one (PubChem CID 15675937) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
PubChem CID15675937
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one
SMILESCc1c(N)cc2oc(=O)[nH]c2c1F
InChIInChI=1S/C8H7FN2O2/c1-3-4(10)2-5-7(6(3)9)11-8(12)13-5/h2H,10H2,1H3,(H,11,12)
InChIKeyZKWASRAXLPGCFP-UHFFFAOYSA-N
XLogP1.15
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one (CID 15675937) is 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one is Cc1c(N)cc2oc(=O)[nH]c2c1F.
What is the InChIKey of 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one?
The InChIKey is ZKWASRAXLPGCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-3-4(10)2-5-7(6(3)9)11-8(12)13-5/h2H,10H2,1H3,(H,11,12).
What are the key properties of 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one?
6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one has a molecular weight of 182.15 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-fluoro-5-methyl-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 15675937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).