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

C23H21N3O4 — CID 23654030

IUPAC2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cccc(C)c1-c1cc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)ccn1
InChIInChI=1S/C23H21N3O4/c1-15-4-3-5-16(2)21(15)20-12-18(10-11-24-20)14-29-19-8-6-17(7-9-19)13-26-22(27)25-23(28)30-26/h3-12H,13-14H2,1-2H3,(H,25,27,28)
InChIKeyIBRPMNMGJKROFP-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.44
Rot. Bonds6

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

2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 23654030) has the molecular formula C23H21N3O4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID23654030
Molecular FormulaC23H21N3O4
Molecular Weight403.44 g/mol
Exact Mass403.15
IUPAC Name2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cccc(C)c1-c1cc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)ccn1
InChIInChI=1S/C23H21N3O4/c1-15-4-3-5-16(2)21(15)20-12-18(10-11-24-20)14-29-19-8-6-17(7-9-19)13-26-22(27)25-23(28)30-26/h3-12H,13-14H2,1-2H3,(H,25,27,28)
InChIKeyIBRPMNMGJKROFP-UHFFFAOYSA-N
XLogP3.44
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 23654030) is 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is Cc1cccc(C)c1-c1cc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)ccn1.
What is the InChIKey of 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is IBRPMNMGJKROFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O4/c1-15-4-3-5-16(2)21(15)20-12-18(10-11-24-20)14-29-19-8-6-17(7-9-19)13-26-22(27)25-23(28)30-26/h3-12H,13-14H2,1-2H3,(H,25,27,28).
What are the key properties of 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 403.44 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[2-(2,6-dimethylphenyl)-4-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 23654030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).