(NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine

C4H4N2O2 — CID 14738062

IUPAC(NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine
SMILESO/N=C/c1cnoc1
InChIInChI=1S/C4H4N2O2/c7-5-1-4-2-6-8-3-4/h1-3,7H/b5-1+
InChIKeyOVYBRQWQZAVFKO-ORCRQEGFSA-N
MW112.09 g/mol
LogP0.48
Rot. Bonds1

About (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine

(NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine (PubChem CID 14738062) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine
PubChem CID14738062
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name(NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine
SMILESO/N=C/c1cnoc1
InChIInChI=1S/C4H4N2O2/c7-5-1-4-2-6-8-3-4/h1-3,7H/b5-1+
InChIKeyOVYBRQWQZAVFKO-ORCRQEGFSA-N
XLogP0.48
TPSA58.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(1,2-oxazol-4-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine (CID 14738062) is (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine is O/N=C/c1cnoc1.
What is the InChIKey of (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine?
The InChIKey is OVYBRQWQZAVFKO-ORCRQEGFSA-N. The full InChI is InChI=1S/C4H4N2O2/c7-5-1-4-2-6-8-3-4/h1-3,7H/b5-1+.
What are the key properties of (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine?
(NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine has a molecular weight of 112.09 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(1,2-oxazol-4-ylmethylidene)hydroxylamine is sourced from PubChem (CID 14738062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).