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

C9H7FN4O2 — CID 162739694

IUPAC3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one
SMILESNc1[nH]oc(=O)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H7FN4O2/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-16-9(7)15/h1-4,14H,11H2/b13-12+
InChIKeyFCBATJNAABZMDK-OUKQBFOZSA-N
MW222.18 g/mol
LogP2.10
Rot. Bonds2

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

3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one (PubChem CID 162739694) has the molecular formula C9H7FN4O2 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one
PubChem CID162739694
Molecular FormulaC9H7FN4O2
Molecular Weight222.18 g/mol
Exact Mass222.06
IUPAC Name3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one
SMILESNc1[nH]oc(=O)c1/N=N/c1ccccc1F
InChIInChI=1S/C9H7FN4O2/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-16-9(7)15/h1-4,14H,11H2/b13-12+
InChIKeyFCBATJNAABZMDK-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'}

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Related Compounds

3-Methyl-4-(2-phenyldiazenyl)-5(2H)-isoxazolone
CID 900857
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
5-Amino-4-[(3-fluorophenyl)diazenyl]-1,2-oxazol-3-one
CID 3141337
2-[(4-Fluorophenyl)diazenyl]acetic acid
CID 123467991
4-[(2-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
CID 136633639
(2,4-Difluoroanilino) prop-2-enoate
CID 153725303
(2Z)-2-amino-2-[(2,4-difluorophenyl)iminohydrazinylidene]acetic acid
CID 177169504
4-[(4-fluorophenyl)diazenyl]-3-methyl-2H-1,2-oxazol-5-one
CID 137279166
4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one
CID 154341773
3-amino-4-[(4-methylphenyl)diazenyl]-2H-1,2-oxazol-5-one
CID 137304178
3-amino-4-phenyldiazenyl-2H-1,2-oxazol-5-one
CID 137309706

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one?
The IUPAC name of 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one (CID 162739694) is 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one is Nc1[nH]oc(=O)c1/N=N/c1ccccc1F.
What is the InChIKey of 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one?
The InChIKey is FCBATJNAABZMDK-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H7FN4O2/c10-5-3-1-2-4-6(5)12-13-7-8(11)14-16-9(7)15/h1-4,14H,11H2/b13-12+.
What are the key properties of 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one?
3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-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 3-amino-4-[(2-fluorophenyl)diazenyl]-2H-1,2-oxazol-5-one is sourced from PubChem (CID 162739694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).