N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C20H25N3O4 — CID 124999385

About N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 124999385) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 124999385
• Molecular Formula: C20H25N3O4
• Molecular Weight: 371.44 g/mol
• Exact Mass: 371.18
• IUPAC Name: N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
• SMILES: COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CNC(C)=O)C3)o2)cc1
• InChI: InChI=1S/C20H25N3O4/c1-14(24)21-12-19(25)23-9-3-4-16(13-23)20-22-11-18(27-20)10-15-5-7-17(26-2)8-6-15/h5-8,11,16H,3-4,9-10,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1
• InChIKey: ROQLYCGBVGDBCO-INIZCTEOSA-N
• XLogP: 2.12
• TPSA: 84.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.44
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 124999385) is N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)CNC(C)=O)C3)o2)cc1.

What is the InChIKey of N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is ROQLYCGBVGDBCO-INIZCTEOSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14(24)21-12-19(25)23-9-3-4-16(13-23)20-22-11-18(27-20)10-15-5-7-17(26-2)8-6-15/h5-8,11,16H,3-4,9-10,12-13H2,1-2H3,(H,21,24)/t16-/m0/s1.

What are the key properties of N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?

N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 371.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3S)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 124999385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).