4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one

C10H6F3N3O2 — CID 154341773

IUPAC4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(C(F)(F)F)c1/N=N/c1ccccc1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)8-7(9(17)18-16-8)15-14-6-4-2-1-3-5-6/h1-5,16H/b15-14+
InChIKeyUHSLDZBXDAABEF-CCEZHUSRSA-N
MW257.17 g/mol
LogP3.40
Rot. Bonds2

About 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one

4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one (PubChem CID 154341773) has the molecular formula C10H6F3N3O2 and a molecular weight of 257.17 g/mol. Its IUPAC name is 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one
PubChem CID154341773
Molecular FormulaC10H6F3N3O2
Molecular Weight257.17 g/mol
Exact Mass257.04
IUPAC Name4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one
SMILESO=c1o[nH]c(C(F)(F)F)c1/N=N/c1ccccc1
InChIInChI=1S/C10H6F3N3O2/c11-10(12,13)8-7(9(17)18-16-8)15-14-6-4-2-1-3-5-6/h1-5,16H/b15-14+
InChIKeyUHSLDZBXDAABEF-CCEZHUSRSA-N
XLogP3.40
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.40
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one (CID 154341773) is 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one is O=c1o[nH]c(C(F)(F)F)c1/N=N/c1ccccc1.
What is the InChIKey of 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one?
The InChIKey is UHSLDZBXDAABEF-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H6F3N3O2/c11-10(12,13)8-7(9(17)18-16-8)15-14-6-4-2-1-3-5-6/h1-5,16H/b15-14+.
What are the key properties of 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one?
4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one has a molecular weight of 257.17 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyldiazenyl-3-(trifluoromethyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 154341773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).