4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide

C25H22N4O4 — CID 50843884

IUPAC4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)cc1
InChIInChI=1S/C25H22N4O4/c1-16-5-3-4-6-22(16)25-29-28-23(33-25)15-32-21-13-11-20(12-14-21)27-24(31)18-7-9-19(10-8-18)26-17(2)30/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyZPXMOCOAIBOGTD-UHFFFAOYSA-N
MW442.48 g/mol
LogP4.83
Rot. Bonds7

About 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide

4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide (PubChem CID 50843884) has the molecular formula C25H22N4O4 and a molecular weight of 442.48 g/mol. Its IUPAC name is 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
PubChem CID50843884
Molecular FormulaC25H22N4O4
Molecular Weight442.48 g/mol
Exact Mass442.16
IUPAC Name4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)cc1
InChIInChI=1S/C25H22N4O4/c1-16-5-3-4-6-22(16)25-29-28-23(33-25)15-32-21-13-11-20(12-14-21)27-24(31)18-7-9-19(10-8-18)26-17(2)30/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyZPXMOCOAIBOGTD-UHFFFAOYSA-N
XLogP4.83
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide (CID 50843884) is 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide is CC(=O)Nc1ccc(C(=O)Nc2ccc(OCc3nnc(-c4ccccc4C)o3)cc2)cc1.
What is the InChIKey of 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The InChIKey is ZPXMOCOAIBOGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O4/c1-16-5-3-4-6-22(16)25-29-28-23(33-25)15-32-21-13-11-20(12-14-21)27-24(31)18-7-9-19(10-8-18)26-17(2)30/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide has a molecular weight of 442.48 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 50843884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).