O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine

C4H7N3O2 — CID 79422234

IUPACO-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine
SMILESCc1nonc1CON
InChIInChI=1S/C4H7N3O2/c1-3-4(2-8-5)7-9-6-3/h2,5H2,1H3
InChIKeyWQDWZRZKYTZYGL-UHFFFAOYSA-N
MW129.12 g/mol
LogP-0.23
Rot. Bonds2

About O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine

O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine (PubChem CID 79422234) has the molecular formula C4H7N3O2 and a molecular weight of 129.12 g/mol. Its IUPAC name is O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine
PubChem CID79422234
Molecular FormulaC4H7N3O2
Molecular Weight129.12 g/mol
Exact Mass129.05
IUPAC NameO-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine
SMILESCc1nonc1CON
InChIInChI=1S/C4H7N3O2/c1-3-4(2-8-5)7-9-6-3/h2,5H2,1H3
InChIKeyWQDWZRZKYTZYGL-UHFFFAOYSA-N
XLogP-0.23
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.12
LogP ≤ 5-0.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine?
The IUPAC name of O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine (CID 79422234) is O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine is Cc1nonc1CON.
What is the InChIKey of O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine?
The InChIKey is WQDWZRZKYTZYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2/c1-3-4(2-8-5)7-9-6-3/h2,5H2,1H3.
What are the key properties of O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine?
O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine has a molecular weight of 129.12 g/mol, XLogP of -0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]hydroxylamine is sourced from PubChem (CID 79422234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).