5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one

C10H7ClN2O2 — CID 69481262

IUPAC5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C=Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C10H7ClN2O2/c11-8-4-1-7(2-5-8)3-6-9-12-13-10(14)15-9/h1-6H,(H,13,14)
InChIKeyGSOBQQVGYVKXAN-UHFFFAOYSA-N
MW222.63 g/mol
LogP2.19
Rot. Bonds2

About 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one

5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 69481262) has the molecular formula C10H7ClN2O2 and a molecular weight of 222.63 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
PubChem CID69481262
Molecular FormulaC10H7ClN2O2
Molecular Weight222.63 g/mol
Exact Mass222.02
IUPAC Name5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
SMILESO=c1[nH]nc(C=Cc2ccc(Cl)cc2)o1
InChIInChI=1S/C10H7ClN2O2/c11-8-4-1-7(2-5-8)3-6-9-12-13-10(14)15-9/h1-6H,(H,13,14)
InChIKeyGSOBQQVGYVKXAN-UHFFFAOYSA-N
XLogP2.19
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one (CID 69481262) is 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one is O=c1[nH]nc(C=Cc2ccc(Cl)cc2)o1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is GSOBQQVGYVKXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2O2/c11-8-4-1-7(2-5-8)3-6-9-12-13-10(14)15-9/h1-6H,(H,13,14).
What are the key properties of 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one?
5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 222.63 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 69481262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).