2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C24H22N2O4 — CID 44572095

IUPAC2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cccc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1
InChIInChI=1S/C24H22N2O4/c1-16-5-3-6-17(2)22(16)20-8-4-7-19(13-20)15-29-21-11-9-18(10-12-21)14-26-23(27)25-24(28)30-26/h3-13H,14-15H2,1-2H3,(H,25,27,28)
InChIKeyIBJSNKQFWUJSQW-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.04
Rot. Bonds6

About 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 44572095) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID44572095
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cccc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1
InChIInChI=1S/C24H22N2O4/c1-16-5-3-6-17(2)22(16)20-8-4-7-19(13-20)15-29-21-11-9-18(10-12-21)14-26-23(27)25-24(28)30-26/h3-13H,14-15H2,1-2H3,(H,25,27,28)
InChIKeyIBJSNKQFWUJSQW-UHFFFAOYSA-N
XLogP4.04
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 44572095) is 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is Cc1cccc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1.
What is the InChIKey of 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is IBJSNKQFWUJSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-16-5-3-6-17(2)22(16)20-8-4-7-19(13-20)15-29-21-11-9-18(10-12-21)14-26-23(27)25-24(28)30-26/h3-13H,14-15H2,1-2H3,(H,25,27,28).
What are the key properties of 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 402.45 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[3-(2,6-dimethylphenyl)phenyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 44572095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).