3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide

C25H19N5O9 — CID 19038530

IUPAC3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide
SMILESNC(=O)c1cc(Oc2ccc(Cn3oc(=O)[nH]c3=O)cc2)cc(Oc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1
InChIInChI=1S/C25H19N5O9/c26-21(31)16-9-19(36-17-5-1-14(2-6-17)12-29-22(32)27-24(34)38-29)11-20(10-16)37-18-7-3-15(4-8-18)13-30-23(33)28-25(35)39-30/h1-11H,12-13H2,(H2,26,31)(H,27,32,34)(H,28,33,35)
InChIKeyAVBDOLOLIMWNSC-UHFFFAOYSA-N
MW533.45 g/mol
LogP1.35
Rot. Bonds9

About 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide

3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide (PubChem CID 19038530) has the molecular formula C25H19N5O9 and a molecular weight of 533.45 g/mol. Its IUPAC name is 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide.

Molecular Properties

Compound Name3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide
PubChem CID19038530
Molecular FormulaC25H19N5O9
Molecular Weight533.45 g/mol
Exact Mass533.12
IUPAC Name3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide
SMILESNC(=O)c1cc(Oc2ccc(Cn3oc(=O)[nH]c3=O)cc2)cc(Oc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1
InChIInChI=1S/C25H19N5O9/c26-21(31)16-9-19(36-17-5-1-14(2-6-17)12-29-22(32)27-24(34)38-29)11-20(10-16)37-18-7-3-15(4-8-18)13-30-23(33)28-25(35)39-30/h1-11H,12-13H2,(H2,26,31)(H,27,32,34)(H,28,33,35)
InChIKeyAVBDOLOLIMWNSC-UHFFFAOYSA-N
XLogP1.35
TPSA197.55 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.45
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide?
The IUPAC name of 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide (CID 19038530) is 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide.
What is the SMILES notation for 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide?
The canonical SMILES for 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide is NC(=O)c1cc(Oc2ccc(Cn3oc(=O)[nH]c3=O)cc2)cc(Oc2ccc(Cn3oc(=O)[nH]c3=O)cc2)c1.
What is the InChIKey of 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide?
The InChIKey is AVBDOLOLIMWNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O9/c26-21(31)16-9-19(36-17-5-1-14(2-6-17)12-29-22(32)27-24(34)38-29)11-20(10-16)37-18-7-3-15(4-8-18)13-30-23(33)28-25(35)39-30/h1-11H,12-13H2,(H2,26,31)(H,27,32,34)(H,28,33,35).
What are the key properties of 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide?
3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide has a molecular weight of 533.45 g/mol, XLogP of 1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]phenoxy]benzamide is sourced from PubChem (CID 19038530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).