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

C21H23N3O4 — CID 25298167

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

N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 25298167) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
• PubChem CID: 25298167
• Molecular Formula: C21H23N3O4
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.17
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide
• SMILES: COc1ccc(CNC(=O)CCc2nnc([C@@H](OC)c3ccccc3)o2)cc1
• InChI: InChI=1S/C21H23N3O4/c1-26-17-10-8-15(9-11-17)14-22-18(25)12-13-19-23-24-21(28-19)20(27-2)16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H,22,25)/t20-/m0/s1
• InChIKey: LCPNSJVKRAUZIN-FQEVSTJZSA-N
• XLogP: 3.06
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide (CID 25298167) is N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide.

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

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is COc1ccc(CNC(=O)CCc2nnc([C@@H](OC)c3ccccc3)o2)cc1.

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

The InChIKey is LCPNSJVKRAUZIN-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-26-17-10-8-15(9-11-17)14-22-18(25)12-13-19-23-24-21(28-19)20(27-2)16-6-4-3-5-7-16/h3-11,20H,12-14H2,1-2H3,(H,22,25)/t20-/m0/s1.

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

N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 381.43 g/mol, XLogP of 3.06, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-3-[5-[(S)-methoxy(phenyl)methyl]-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 25298167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).