(NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine

C9H7N3O2 — CID 135580781

IUPAC(NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine
SMILESO/N=C/c1nc(-c2ccccc2)no1
InChIInChI=1S/C9H7N3O2/c13-10-6-8-11-9(12-14-8)7-4-2-1-3-5-7/h1-6,13H/b10-6+
InChIKeyVIWUTBBFLPMIBS-UXBLZVDNSA-N
MW189.17 g/mol
LogP1.54
Rot. Bonds2

About (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine

(NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine (PubChem CID 135580781) has the molecular formula C9H7N3O2 and a molecular weight of 189.17 g/mol. Its IUPAC name is (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine
PubChem CID135580781
Molecular FormulaC9H7N3O2
Molecular Weight189.17 g/mol
Exact Mass189.05
IUPAC Name(NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine
SMILESO/N=C/c1nc(-c2ccccc2)no1
InChIInChI=1S/C9H7N3O2/c13-10-6-8-11-9(12-14-8)7-4-2-1-3-5-7/h1-6,13H/b10-6+
InChIKeyVIWUTBBFLPMIBS-UXBLZVDNSA-N
XLogP1.54
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine (CID 135580781) is (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine is O/N=C/c1nc(-c2ccccc2)no1.
What is the InChIKey of (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine?
The InChIKey is VIWUTBBFLPMIBS-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H7N3O2/c13-10-6-8-11-9(12-14-8)7-4-2-1-3-5-7/h1-6,13H/b10-6+.
What are the key properties of (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine?
(NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine has a molecular weight of 189.17 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylidene]hydroxylamine is sourced from PubChem (CID 135580781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).