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

C8H7FN2O2 — CID 56688610

IUPAC4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(F)cc(N)c21
InChIInChI=1S/C8H7FN2O2/c1-11-7-5(10)2-4(9)3-6(7)13-8(11)12/h2-3H,10H2,1H3
InChIKeyJBYLZUVXXBZVDC-UHFFFAOYSA-N
MW182.15 g/mol
LogP0.85
Rot. Bonds

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

4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one (PubChem CID 56688610) has the molecular formula C8H7FN2O2 and a molecular weight of 182.15 g/mol. Its IUPAC name is 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one
PubChem CID56688610
Molecular FormulaC8H7FN2O2
Molecular Weight182.15 g/mol
Exact Mass182.05
IUPAC Name4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(F)cc(N)c21
InChIInChI=1S/C8H7FN2O2/c1-11-7-5(10)2-4(9)3-6(7)13-8(11)12/h2-3H,10H2,1H3
InChIKeyJBYLZUVXXBZVDC-UHFFFAOYSA-N
XLogP0.85
TPSA61.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.15
LogP ≤ 50.85
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 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one (CID 56688610) is 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(F)cc(N)c21.
What is the InChIKey of 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is JBYLZUVXXBZVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O2/c1-11-7-5(10)2-4(9)3-6(7)13-8(11)12/h2-3H,10H2,1H3.
What are the key properties of 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one?
4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 182.15 g/mol, XLogP of 0.85, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-fluoro-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 56688610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).