4-diazonio-3-phenyl-1,2-oxazol-5-olate

C9H5N3O2 — CID 582386

IUPAC4-diazonio-3-phenyl-1,2-oxazol-5-olate
SMILESN#[N+]c1c(-c2ccccc2)noc1[O-]
InChIInChI=1S/C9H5N3O2/c10-11-8-7(12-14-9(8)13)6-4-2-1-3-5-6/h1-5H
InChIKeyDZFBRZWIANVQAC-UHFFFAOYSA-N
MW187.16 g/mol
LogP1.90
Rot. Bonds1

About 4-diazonio-3-phenyl-1,2-oxazol-5-olate

4-diazonio-3-phenyl-1,2-oxazol-5-olate (PubChem CID 582386) has the molecular formula C9H5N3O2 and a molecular weight of 187.16 g/mol. Its IUPAC name is 4-diazonio-3-phenyl-1,2-oxazol-5-olate.

Molecular Properties

Compound Name4-diazonio-3-phenyl-1,2-oxazol-5-olate
PubChem CID582386
Molecular FormulaC9H5N3O2
Molecular Weight187.16 g/mol
Exact Mass187.04
IUPAC Name4-diazonio-3-phenyl-1,2-oxazol-5-olate
SMILESN#[N+]c1c(-c2ccccc2)noc1[O-]
InChIInChI=1S/C9H5N3O2/c10-11-8-7(12-14-9(8)13)6-4-2-1-3-5-6/h1-5H
InChIKeyDZFBRZWIANVQAC-UHFFFAOYSA-N
XLogP1.90
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Azo_group', 'substructure': 'N/A'}

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Related Compounds

3,5-diphenyl-1,2-oxazol-4-amine
CID 15554723
5-diazonio-6-oxo-3-phenyl-1H-pyridazin-4-olate
CID 110272737
3,4-diphenyl-1,2-oxazole-5-carboxylic acid
CID 129078640
methanamine;methane;3-phenyl-1,2-benzoxazole
CID 175235324
4-(5-(18F)fluoro-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 10171927
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
5-methyl-2-nitro-3,6-diphenylpyridine-4-diazonium
CID 175286557
4-nitro-3,5-diphenyl-1,2-oxazole
CID 5023418
lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
CID 174645713
5-bromo-3-phenyl-[1,2]oxazolo[5,4-b]pyridine
CID 83913838
1-(3-phenyl-4-propan-2-yl-1,2-oxazol-5-yl)ethanamine
CID 83850381
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720

Frequently Asked Questions

What is the IUPAC name of 4-diazonio-3-phenyl-1,2-oxazol-5-olate?
The IUPAC name of 4-diazonio-3-phenyl-1,2-oxazol-5-olate (CID 582386) is 4-diazonio-3-phenyl-1,2-oxazol-5-olate.
What is the SMILES notation for 4-diazonio-3-phenyl-1,2-oxazol-5-olate?
The canonical SMILES for 4-diazonio-3-phenyl-1,2-oxazol-5-olate is N#[N+]c1c(-c2ccccc2)noc1[O-].
What is the InChIKey of 4-diazonio-3-phenyl-1,2-oxazol-5-olate?
The InChIKey is DZFBRZWIANVQAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O2/c10-11-8-7(12-14-9(8)13)6-4-2-1-3-5-6/h1-5H.
What are the key properties of 4-diazonio-3-phenyl-1,2-oxazol-5-olate?
4-diazonio-3-phenyl-1,2-oxazol-5-olate has a molecular weight of 187.16 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-diazonio-3-phenyl-1,2-oxazol-5-olate is sourced from PubChem (CID 582386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).