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

C9H7FN4O2 — CID 3141337

IUPAC5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one
SMILESNc1o[nH]c(=O)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C9H7FN4O2/c10-5-2-1-3-6(4-5)12-13-7-8(11)16-14-9(7)15/h1-4H,11H2,(H,14,15)/b13-12+
InChIKeyDQZGVIKMXNESHZ-OUKQBFOZSA-N
MW222.18 g/mol
LogP2.10
Rot. Bonds2

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

5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one (PubChem CID 3141337) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one
PubChem CID3141337
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one
SMILESNc1o[nH]c(=O)c1/N=N/c1cccc(F)c1
InChIInChI=1S/C9H7FN4O2/c10-5-2-1-3-6(4-5)12-13-7-8(11)16-14-9(7)15/h1-4H,11H2,(H,14,15)/b13-12+
InChIKeyDQZGVIKMXNESHZ-OUKQBFOZSA-N
XLogP2.10
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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

Launch Full Analysis

Related Compounds

5-Amino-4-[(2-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 162739681
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one
CID 162739690
3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one
CID 162739694
4-[(2-Fluorophenyl)diazenyl]-5-hydroxy-1,2-dihydropyrazol-3-one
CID 162739706
5-Amino-4-[(4-phenyldiazenylphenyl)diazenyl]-1,2-oxazol-3-one
CID 136180658
2-[(4-Fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
CID 135464772
(Z)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
CID 135529157
(E)-2-[(4-fluorophenyl)diazenyl]-3-hydroxybut-2-enamide
CID 135777761
5-Amino-4-phenyldiazenyl-1,2-oxazol-3-one
CID 136302327
2-methoxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
CID 136598000
5-Hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one
CID 170279188
2-hydroxy-5-methyl-4-phenyldiazenyl-1H-pyrazol-3-one
CID 174879138

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one?
The IUPAC name of 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one (CID 3141337) is 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one is Nc1o[nH]c(=O)c1/N=N/c1cccc(F)c1.
What is the InChIKey of 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one?
The InChIKey is DQZGVIKMXNESHZ-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-5-2-1-3-6(4-5)12-13-7-8(11)16-14-9(7)15/h1-4H,11H2,(H,14,15)/b13-12+.
What are the key properties of 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one?
5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one has a molecular weight of 222.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one is sourced from PubChem (CID 3141337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).