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

C25H22N4O5 — CID 16591774

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

N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 16591774) has the molecular formula C25H22N4O5 and a molecular weight of 458.47 g/mol. Its IUPAC name is N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

• Compound Name: N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
• PubChem CID: 16591774
• Molecular Formula: C25H22N4O5
• Molecular Weight: 458.47 g/mol
• Exact Mass: 458.16
• IUPAC Name: N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
• SMILES: COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1
• InChI: InChI=1S/C25H22N4O5/c1-16-26-23(29-34-16)15-33-21-9-5-3-7-19(21)25(31)27-18-13-11-17(12-14-18)24(30)28-20-8-4-6-10-22(20)32-2/h3-14H,15H2,1-2H3,(H,27,31)(H,28,30)
• InChIKey: GUNWZJLVMFXMLE-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 115.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.47
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?

The IUPAC name of N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 16591774) is N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

What is the SMILES notation for N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?

The canonical SMILES for N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1.

What is the InChIKey of N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?

The InChIKey is GUNWZJLVMFXMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O5/c1-16-26-23(29-34-16)15-33-21-9-5-3-7-19(21)25(31)27-18-13-11-17(12-14-18)24(30)28-20-8-4-6-10-22(20)32-2/h3-14H,15H2,1-2H3,(H,27,31)(H,28,30).

What are the key properties of N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?

N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 458.47 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(2-methoxyphenyl)carbamoyl]phenyl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 16591774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).