5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one

C9H7N3O3 — CID 170279188

IUPAC5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(O)c1/N=N/c1ccccc1
InChIInChI=1S/C9H7N3O3/c13-8-7(9(14)15-12-8)11-10-6-4-2-1-3-5-6/h1-5,14H,(H,12,13)/b11-10+
InChIKeyGWOZZYVRSGMCDQ-ZHACJKMWSA-N
MW205.17 g/mol
LogP2.09
Rot. Bonds2

About 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one

5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one (PubChem CID 170279188) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one
PubChem CID170279188
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one
SMILESO=c1[nH]oc(O)c1/N=N/c1ccccc1
InChIInChI=1S/C9H7N3O3/c13-8-7(9(14)15-12-8)11-10-6-4-2-1-3-5-6/h1-5,14H,(H,12,13)/b11-10+
InChIKeyGWOZZYVRSGMCDQ-ZHACJKMWSA-N
XLogP2.09
TPSA90.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one?
The IUPAC name of 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one (CID 170279188) is 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one.
What is the SMILES notation for 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one?
The canonical SMILES for 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one is O=c1[nH]oc(O)c1/N=N/c1ccccc1.
What is the InChIKey of 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one?
The InChIKey is GWOZZYVRSGMCDQ-ZHACJKMWSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-8-7(9(14)15-12-8)11-10-6-4-2-1-3-5-6/h1-5,14H,(H,12,13)/b11-10+.
What are the key properties of 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one?
5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one has a molecular weight of 205.17 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-phenyldiazenyl-1,2-oxazol-3-one is sourced from PubChem (CID 170279188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).