3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one

C10H9N3O2 — CID 900857

IUPAC3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C10H9N3O2/c1-7-9(10(14)15-13-7)12-11-8-5-3-2-4-6-8/h2-6,13H,1H3/b12-11+
InChIKeyGSTVATDKSJIQLT-VAWYXSNFSA-N
MW203.20 g/mol
LogP2.69
Rot. Bonds2

About 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one

3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one (PubChem CID 900857) has the molecular formula C10H9N3O2 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one
PubChem CID900857
Molecular FormulaC10H9N3O2
Molecular Weight203.20 g/mol
Exact Mass203.07
IUPAC Name3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one
SMILESCc1[nH]oc(=O)c1/N=N/c1ccccc1
InChIInChI=1S/C10H9N3O2/c1-7-9(10(14)15-13-7)12-11-8-5-3-2-4-6-8/h2-6,13H,1H3/b12-11+
InChIKeyGSTVATDKSJIQLT-VAWYXSNFSA-N
XLogP2.69
TPSA70.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.69
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 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one?
The IUPAC name of 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one (CID 900857) is 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one is Cc1[nH]oc(=O)c1/N=N/c1ccccc1.
What is the InChIKey of 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one?
The InChIKey is GSTVATDKSJIQLT-VAWYXSNFSA-N. The full InChI is InChI=1S/C10H9N3O2/c1-7-9(10(14)15-13-7)12-11-8-5-3-2-4-6-8/h2-6,13H,1H3/b12-11+.
What are the key properties of 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one?
3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one has a molecular weight of 203.20 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-phenyldiazenyl-2H-1,2-oxazol-5-one is sourced from PubChem (CID 900857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).