3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride

C10H14ClN3O — CID 23623475

IUPAC3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride
SMILESCl.[H]/N=C1/CN(CCc2ccccc2)NO1
InChIInChI=1S/C10H13N3O.ClH/c11-10-8-13(12-14-10)7-6-9-4-2-1-3-5-9;/h1-5,11-12H,6-8H2;1H/b11-10-;
InChIKeyJNKBYENIEITJDS-GMFCBQQYSA-N
MW227.70 g/mol
LogP1.38
Rot. Bonds3

About 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride

3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride (PubChem CID 23623475) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride.

Molecular Properties

Compound Name3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride
PubChem CID23623475
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride
SMILESCl.[H]/N=C1/CN(CCc2ccccc2)NO1
InChIInChI=1S/C10H13N3O.ClH/c11-10-8-13(12-14-10)7-6-9-4-2-1-3-5-9;/h1-5,11-12H,6-8H2;1H/b11-10-;
InChIKeyJNKBYENIEITJDS-GMFCBQQYSA-N
XLogP1.38
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride?
The IUPAC name of 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride (CID 23623475) is 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride.
What is the SMILES notation for 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride?
The canonical SMILES for 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride is Cl.[H]/N=C1/CN(CCc2ccccc2)NO1.
What is the InChIKey of 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride?
The InChIKey is JNKBYENIEITJDS-GMFCBQQYSA-N. The full InChI is InChI=1S/C10H13N3O.ClH/c11-10-8-13(12-14-10)7-6-9-4-2-1-3-5-9;/h1-5,11-12H,6-8H2;1H/b11-10-;.
What are the key properties of 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride?
3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride has a molecular weight of 227.70 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethyl)oxadiazolidin-5-imine;hydrochloride is sourced from PubChem (CID 23623475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).