3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one

C14H8Cl2N2O2 — CID 23723081

IUPAC3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2Cl)n1-c1ccccc1Cl
InChIInChI=1S/C14H8Cl2N2O2/c15-10-6-2-1-5-9(10)13-17-20-14(19)18(13)12-8-4-3-7-11(12)16/h1-8H
InChIKeyFNLPZOSEGWNETR-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.80
Rot. Bonds2

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

3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one (PubChem CID 23723081) has the molecular formula C14H8Cl2N2O2 and a molecular weight of 307.14 g/mol. Its IUPAC name is 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one
PubChem CID23723081
Molecular FormulaC14H8Cl2N2O2
Molecular Weight307.14 g/mol
Exact Mass306.00
IUPAC Name3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2ccccc2Cl)n1-c1ccccc1Cl
InChIInChI=1S/C14H8Cl2N2O2/c15-10-6-2-1-5-9(10)13-17-20-14(19)18(13)12-8-4-3-7-11(12)16/h1-8H
InChIKeyFNLPZOSEGWNETR-UHFFFAOYSA-N
XLogP3.80
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one?
The IUPAC name of 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one (CID 23723081) is 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one is O=c1onc(-c2ccccc2Cl)n1-c1ccccc1Cl.
What is the InChIKey of 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one?
The InChIKey is FNLPZOSEGWNETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2N2O2/c15-10-6-2-1-5-9(10)13-17-20-14(19)18(13)12-8-4-3-7-11(12)16/h1-8H.
What are the key properties of 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one?
3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one has a molecular weight of 307.14 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-chlorophenyl)-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 23723081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).