4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one

C10H8FN3O2 — CID 137279166

IUPAC4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1/N=N/c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O2/c1-6-9(10(15)16-14-6)13-12-8-4-2-7(11)3-5-8/h2-5,14H,1H3/b13-12+
InChIKeyNFWHQJMZOJTYLW-OUKQBFOZSA-N
MW221.19 g/mol
LogP2.83
Rot. Bonds2

About 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one

4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one (PubChem CID 137279166) has the molecular formula C10H8FN3O2 and a molecular weight of 221.19 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
PubChem CID137279166
Molecular FormulaC10H8FN3O2
Molecular Weight221.19 g/mol
Exact Mass221.06
IUPAC Name4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1/N=N/c1ccc(F)cc1
InChIInChI=1S/C10H8FN3O2/c1-6-9(10(15)16-14-6)13-12-8-4-2-7(11)3-5-8/h2-5,14H,1H3/b13-12+
InChIKeyNFWHQJMZOJTYLW-OUKQBFOZSA-N
XLogP2.83
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The IUPAC name of 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one (CID 137279166) is 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one is Cc1[nH]oc(=O)c1/N=N/c1ccc(F)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
The InChIKey is NFWHQJMZOJTYLW-OUKQBFOZSA-N. The full InChI is InChI=1S/C10H8FN3O2/c1-6-9(10(15)16-14-6)13-12-8-4-2-7(11)3-5-8/h2-5,14H,1H3/b13-12+.
What are the key properties of 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one?
4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one has a molecular weight of 221.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 137279166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).