2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione

C9H6Cl2N2O3 — CID 4690

IUPAC2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione
SMILESCn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3
InChIKeyLRUUNMYPIBZBQH-UHFFFAOYSA-N
MW261.06 g/mol
LogP1.44
Rot. Bonds1

About 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione

2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 4690) has the molecular formula C9H6Cl2N2O3 and a molecular weight of 261.06 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione
PubChem CID4690
Molecular FormulaC9H6Cl2N2O3
Molecular Weight261.06 g/mol
Exact Mass259.98
IUPAC Name2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione
SMILESCn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O
InChIInChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3
InChIKeyLRUUNMYPIBZBQH-UHFFFAOYSA-N
XLogP1.44
TPSA57.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.06
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione (CID 4690) is 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione is Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is LRUUNMYPIBZBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2O3/c1-12-8(14)13(16-9(12)15)5-2-3-6(10)7(11)4-5/h2-4H,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione?
2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 261.06 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-methyl-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 4690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).