N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine

C6H10N2O2 — CID 59154889

IUPACN-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine
SMILESCCN(O)Cc1ccno1
InChIInChI=1S/C6H10N2O2/c1-2-8(9)5-6-3-4-7-10-6/h3-4,9H,2,5H2,1H3
InChIKeySZOSMZGFEZOELZ-UHFFFAOYSA-N
MW142.16 g/mol
LogP0.89
Rot. Bonds3

About N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine

N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine (PubChem CID 59154889) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine.

Molecular Properties

Compound NameN-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine
PubChem CID59154889
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine
SMILESCCN(O)Cc1ccno1
InChIInChI=1S/C6H10N2O2/c1-2-8(9)5-6-3-4-7-10-6/h3-4,9H,2,5H2,1H3
InChIKeySZOSMZGFEZOELZ-UHFFFAOYSA-N
XLogP0.89
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 50.89
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 N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine?
The IUPAC name of N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine (CID 59154889) is N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine.
What is the SMILES notation for N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine?
The canonical SMILES for N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine is CCN(O)Cc1ccno1.
What is the InChIKey of N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine?
The InChIKey is SZOSMZGFEZOELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-2-8(9)5-6-3-4-7-10-6/h3-4,9H,2,5H2,1H3.
What are the key properties of N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine?
N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine has a molecular weight of 142.16 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1,2-oxazol-5-ylmethyl)hydroxylamine is sourced from PubChem (CID 59154889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).