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

C25H22N4O5 — CID 50843851

IUPAC4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
SMILESCOc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccc(NC(C)=O)cc4)cc3)o2)cc1
InChIInChI=1S/C25H22N4O5/c1-16(30)26-19-7-3-17(4-8-19)24(31)27-20-9-13-22(14-10-20)33-15-23-28-29-25(34-23)18-5-11-21(32-2)12-6-18/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyFZYQGQGZIOSFSP-UHFFFAOYSA-N
MW458.47 g/mol
LogP4.53
Rot. Bonds8

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

4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide (PubChem CID 50843851) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
PubChem CID50843851
Molecular FormulaC25H22N4O5
Molecular Weight458.47 g/mol
Exact Mass458.16
IUPAC Name4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide
SMILESCOc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccc(NC(C)=O)cc4)cc3)o2)cc1
InChIInChI=1S/C25H22N4O5/c1-16(30)26-19-7-3-17(4-8-19)24(31)27-20-9-13-22(14-10-20)33-15-23-28-29-25(34-23)18-5-11-21(32-2)12-6-18/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyFZYQGQGZIOSFSP-UHFFFAOYSA-N
XLogP4.53
TPSA115.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide (CID 50843851) is 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide is COc1ccc(-c2nnc(COc3ccc(NC(=O)c4ccc(NC(C)=O)cc4)cc3)o2)cc1.
What is the InChIKey of 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
The InChIKey is FZYQGQGZIOSFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-16(30)26-19-7-3-17(4-8-19)24(31)27-20-9-13-22(14-10-20)33-15-23-28-29-25(34-23)18-5-11-21(32-2)12-6-18/h3-14H,15H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide?
4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide has a molecular weight of 458.47 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methoxy]phenyl]benzamide is sourced from PubChem (CID 50843851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).