5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one

C9H7ClN2O2 — CID 13365909

IUPAC5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2cccc(Cl)c2)CO1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-2-6(4-7)8-5-14-9(13)12-11-8/h1-4H,5H2,(H,12,13)
InChIKeyZKOYQRNHTWHUHA-UHFFFAOYSA-N
MW210.62 g/mol
LogP1.78
Rot. Bonds1

About 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one

5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one (PubChem CID 13365909) has the molecular formula C9H7ClN2O2 and a molecular weight of 210.62 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
PubChem CID13365909
Molecular FormulaC9H7ClN2O2
Molecular Weight210.62 g/mol
Exact Mass210.02
IUPAC Name5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one
SMILESO=C1NN=C(c2cccc(Cl)c2)CO1
InChIInChI=1S/C9H7ClN2O2/c10-7-3-1-2-6(4-7)8-5-14-9(13)12-11-8/h1-4H,5H2,(H,12,13)
InChIKeyZKOYQRNHTWHUHA-UHFFFAOYSA-N
XLogP1.78
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-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-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The IUPAC name of 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one (CID 13365909) is 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one.
What is the SMILES notation for 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The canonical SMILES for 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one is O=C1NN=C(c2cccc(Cl)c2)CO1.
What is the InChIKey of 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
The InChIKey is ZKOYQRNHTWHUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O2/c10-7-3-1-2-6(4-7)8-5-14-9(13)12-11-8/h1-4H,5H2,(H,12,13).
What are the key properties of 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one?
5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one has a molecular weight of 210.62 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3,6-dihydro-1,3,4-oxadiazin-2-one is sourced from PubChem (CID 13365909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).