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

C9H6FN3O3 — CID 162739690

IUPAC4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one
SMILESO=c1[nH]oc(O)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H6FN3O3/c10-5-3-1-2-4-6(5)11-12-7-8(14)13-16-9(7)15/h1-4,15H,(H,13,14)/b12-11+
InChIKeyMURVXVKEQKGUKI-VAWYXSNFSA-N
MW223.16 g/mol
LogP2.23
Rot. Bonds2

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

4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one (PubChem CID 162739690) has the molecular formula C9H6FN3O3 and a molecular weight of 223.16 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one.

Molecular Properties

Compound Name4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one
PubChem CID162739690
Molecular FormulaC9H6FN3O3
Molecular Weight223.16 g/mol
Exact Mass223.04
IUPAC Name4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one
SMILESO=c1[nH]oc(O)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H6FN3O3/c10-5-3-1-2-4-6(5)11-12-7-8(14)13-16-9(7)15/h1-4,15H,(H,13,14)/b12-11+
InChIKeyMURVXVKEQKGUKI-VAWYXSNFSA-N
XLogP2.23
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 52.23
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'}

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Related Compounds

5-Amino-4-[(2-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 162739681
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
Butanamide, 3-oxo-2-(phenylhydrazono)-
CID 135522046
5-Amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 3141337
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
(E)-3-hydroxy-2-phenyldiazenylbut-2-enamide
CID 135523678
2-Phenylhydrazono-3-oxobutyramide
CID 135543401
5-Amino-4-phenyldiazenyl-1,2-oxazol-3-one
CID 136302327
5-Hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one
CID 170279188

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one?
The IUPAC name of 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one (CID 162739690) is 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one.
What is the SMILES notation for 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one?
The canonical SMILES for 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one is O=c1[nH]oc(O)c1/N=N/c1ccccc1F.
What is the InChIKey of 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one?
The InChIKey is MURVXVKEQKGUKI-VAWYXSNFSA-N. The full InChI is InChI=1S/C9H6FN3O3/c10-5-3-1-2-4-6(5)11-12-7-8(14)13-16-9(7)15/h1-4,15H,(H,13,14)/b12-11+.
What are the key properties of 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one?
4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one has a molecular weight of 223.16 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)diazenyl]-5-hydroxy-1,2-oxazol-3-one is sourced from PubChem (CID 162739690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).