N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide

C27H27N5O4 — CID 50826763

About N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide

N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 50826763) has the molecular formula C27H27N5O4 and a molecular weight of 485.54 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide
• PubChem CID: 50826763
• Molecular Formula: C27H27N5O4
• Molecular Weight: 485.54 g/mol
• Exact Mass: 485.21
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide
• SMILES: COc1ccc(CNC(=O)c2ccc(-c3nc(CCN(C)C(=O)Nc4ccccc4)no3)cc2)cc1
• InChI: InChI=1S/C27H27N5O4/c1-32(27(34)29-22-6-4-3-5-7-22)17-16-24-30-26(36-31-24)21-12-10-20(11-13-21)25(33)28-18-19-8-14-23(35-2)15-9-19/h3-15H,16-18H2,1-2H3,(H,28,33)(H,29,34)
• InChIKey: YXKJNWFMHJYYON-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.54
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide (CID 50826763) is N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide.

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

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide is COc1ccc(CNC(=O)c2ccc(-c3nc(CCN(C)C(=O)Nc4ccccc4)no3)cc2)cc1.

What is the InChIKey of N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide?

The InChIKey is YXKJNWFMHJYYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4/c1-32(27(34)29-22-6-4-3-5-7-22)17-16-24-30-26(36-31-24)21-12-10-20(11-13-21)25(33)28-18-19-8-14-23(35-2)15-9-19/h3-15H,16-18H2,1-2H3,(H,28,33)(H,29,34).

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

N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 485.54 g/mol, XLogP of 4.38, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-4-[3-[2-[methyl(phenylcarbamoyl)amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 50826763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).