O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine

C6H12N2O2 — CID 58990013

IUPACO-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine
SMILESCCC1=NOC(CON)C1
InChIInChI=1S/C6H12N2O2/c1-2-5-3-6(4-9-7)10-8-5/h6H,2-4,7H2,1H3
InChIKeyDRBZXJJGPQRLRU-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.43
Rot. Bonds3

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

O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine (PubChem CID 58990013) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine.

Molecular Properties

Compound NameO-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine
PubChem CID58990013
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameO-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine
SMILESCCC1=NOC(CON)C1
InChIInChI=1S/C6H12N2O2/c1-2-5-3-6(4-9-7)10-8-5/h6H,2-4,7H2,1H3
InChIKeyDRBZXJJGPQRLRU-UHFFFAOYSA-N
XLogP0.43
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine?
The IUPAC name of O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine (CID 58990013) is O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine.
What is the SMILES notation for O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine?
The canonical SMILES for O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine is CCC1=NOC(CON)C1.
What is the InChIKey of O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine?
The InChIKey is DRBZXJJGPQRLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-2-5-3-6(4-9-7)10-8-5/h6H,2-4,7H2,1H3.
What are the key properties of O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine?
O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine has a molecular weight of 144.17 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for O-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]hydroxylamine is sourced from PubChem (CID 58990013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).