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

C25H25N3O6 — CID 23653932

IUPAC2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cc(OCCO)cc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)n1
InChIInChI=1S/C25H25N3O6/c1-16-12-21(32-11-10-29)13-17(2)23(16)22-5-3-4-19(26-22)15-33-20-8-6-18(7-9-20)14-28-24(30)27-25(31)34-28/h3-9,12-13,29H,10-11,14-15H2,1-2H3,(H,27,30,31)
InChIKeyDHAHHUUKIGSNSO-UHFFFAOYSA-N
MW463.49 g/mol
LogP2.81
Rot. Bonds9

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

2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 23653932) has the molecular formula C25H25N3O6 and a molecular weight of 463.49 g/mol. Its IUPAC name is 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID23653932
Molecular FormulaC25H25N3O6
Molecular Weight463.49 g/mol
Exact Mass463.17
IUPAC Name2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESCc1cc(OCCO)cc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)n1
InChIInChI=1S/C25H25N3O6/c1-16-12-21(32-11-10-29)13-17(2)23(16)22-5-3-4-19(26-22)15-33-20-8-6-18(7-9-20)14-28-24(30)27-25(31)34-28/h3-9,12-13,29H,10-11,14-15H2,1-2H3,(H,27,30,31)
InChIKeyDHAHHUUKIGSNSO-UHFFFAOYSA-N
XLogP2.81
TPSA119.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.49
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 23653932) is 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is Cc1cc(OCCO)cc(C)c1-c1cccc(COc2ccc(Cn3oc(=O)[nH]c3=O)cc2)n1.
What is the InChIKey of 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is DHAHHUUKIGSNSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O6/c1-16-12-21(32-11-10-29)13-17(2)23(16)22-5-3-4-19(26-22)15-33-20-8-6-18(7-9-20)14-28-24(30)27-25(31)34-28/h3-9,12-13,29H,10-11,14-15H2,1-2H3,(H,27,30,31).
What are the key properties of 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 463.49 g/mol, XLogP of 2.81, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[[6-[4-(2-hydroxyethoxy)-2,6-dimethylphenyl]-2-pyridinyl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 23653932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).