2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine

C12H17FN2O — CID 123590224

IUPAC2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine
SMILESCCN1CN(CC)C(c2cccc(F)c2)O1
InChIInChI=1S/C12H17FN2O/c1-3-14-9-15(4-2)16-12(14)10-6-5-7-11(13)8-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyNZWBVKXDMMVBFA-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.37
Rot. Bonds3

About 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine

2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine (PubChem CID 123590224) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine.

Molecular Properties

Compound Name2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine
PubChem CID123590224
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine
SMILESCCN1CN(CC)C(c2cccc(F)c2)O1
InChIInChI=1S/C12H17FN2O/c1-3-14-9-15(4-2)16-12(14)10-6-5-7-11(13)8-10/h5-8,12H,3-4,9H2,1-2H3
InChIKeyNZWBVKXDMMVBFA-UHFFFAOYSA-N
XLogP2.37
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine?
The IUPAC name of 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine (CID 123590224) is 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine.
What is the SMILES notation for 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine?
The canonical SMILES for 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine is CCN1CN(CC)C(c2cccc(F)c2)O1.
What is the InChIKey of 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine?
The InChIKey is NZWBVKXDMMVBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-3-14-9-15(4-2)16-12(14)10-6-5-7-11(13)8-10/h5-8,12H,3-4,9H2,1-2H3.
What are the key properties of 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine?
2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine has a molecular weight of 224.28 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethyl-5-(3-fluorophenyl)-1,2,4-oxadiazolidine is sourced from PubChem (CID 123590224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).