5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one

C8H7ClN2O2 — CID 170906604

IUPAC5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one
SMILESO=C1NNC(c2ccccc2Cl)O1
InChIInChI=1S/C8H7ClN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4,7,10H,(H,11,12)
InChIKeyDDBLGJYPGUHHKD-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.58
Rot. Bonds1

About 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one

5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one (PubChem CID 170906604) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one
PubChem CID170906604
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC Name5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one
SMILESO=C1NNC(c2ccccc2Cl)O1
InChIInChI=1S/C8H7ClN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4,7,10H,(H,11,12)
InChIKeyDDBLGJYPGUHHKD-UHFFFAOYSA-N
XLogP1.58
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one?
The IUPAC name of 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one (CID 170906604) is 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one.
What is the SMILES notation for 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one?
The canonical SMILES for 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one is O=C1NNC(c2ccccc2Cl)O1.
What is the InChIKey of 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one?
The InChIKey is DDBLGJYPGUHHKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c9-6-4-2-1-3-5(6)7-10-11-8(12)13-7/h1-4,7,10H,(H,11,12).
What are the key properties of 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one?
5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one has a molecular weight of 198.61 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,3,4-oxadiazolidin-2-one is sourced from PubChem (CID 170906604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).