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

C26H27N3O6 — CID 25270170

IUPAC2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cc(OCCO)cc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cn2)c1C
InChIInChI=1S/C26H27N3O6/c1-16-11-21(33-10-9-30)12-17(2)24(16)22-6-4-5-20(18(22)3)15-34-23-8-7-19(13-27-23)14-29-25(31)28-26(32)35-29/h4-8,11-13,30H,9-10,14-15H2,1-3H3,(H,28,31,32)
InChIKeyWPUCQXKZJBFSOD-UHFFFAOYSA-N
MW477.52 g/mol
LogP3.12
Rot. Bonds9

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

2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 25270170) has the molecular formula C26H27N3O6 and a molecular weight of 477.52 g/mol. Its IUPAC name is 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID25270170
Molecular FormulaC26H27N3O6
Molecular Weight477.52 g/mol
Exact Mass477.19
IUPAC Name2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cc(OCCO)cc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cn2)c1C
InChIInChI=1S/C26H27N3O6/c1-16-11-21(33-10-9-30)12-17(2)24(16)22-6-4-5-20(18(22)3)15-34-23-8-7-19(13-27-23)14-29-25(31)28-26(32)35-29/h4-8,11-13,30H,9-10,14-15H2,1-3H3,(H,28,31,32)
InChIKeyWPUCQXKZJBFSOD-UHFFFAOYSA-N
XLogP3.12
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.52
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 25270170) is 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is Cc1cc(OCCO)cc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cn2)c1C.
What is the InChIKey of 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is WPUCQXKZJBFSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6/c1-16-11-21(33-10-9-30)12-17(2)24(16)22-6-4-5-20(18(22)3)15-34-23-8-7-19(13-27-23)14-29-25(31)28-26(32)35-29/h4-8,11-13,30H,9-10,14-15H2,1-3H3,(H,28,31,32).
What are the key properties of 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 477.52 g/mol, XLogP of 3.12, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[[3-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-methylphenyl]methoxy]-3-pyridinyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 25270170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).