1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

C22H29N3O4 — CID 125010412

About 1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone

1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 125010412) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is 1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

• Compound Name: 1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
• PubChem CID: 125010412
• Molecular Formula: C22H29N3O4
• Molecular Weight: 399.49 g/mol
• Exact Mass: 399.22
• IUPAC Name: 1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone
• SMILES: COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)CN2CCOCC2)o1
• InChI: InChI=1S/C22H29N3O4/c1-27-20-8-3-2-6-17(20)14-18-15-23-22(29-18)19-7-4-5-9-25(19)21(26)16-24-10-12-28-13-11-24/h2-3,6,8,15,19H,4-5,7,9-14,16H2,1H3/t19-/m0/s1
• InChIKey: VJGZBLODXAZZOB-IBGZPJMESA-N
• XLogP: 2.66
• TPSA: 68.04 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.49
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone (CID 125010412) is 1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone.

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

The canonical SMILES for 1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)CN2CCOCC2)o1.

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

The InChIKey is VJGZBLODXAZZOB-IBGZPJMESA-N. The full InChI is InChI=1S/C22H29N3O4/c1-27-20-8-3-2-6-17(20)14-18-15-23-22(29-18)19-7-4-5-9-25(19)21(26)16-24-10-12-28-13-11-24/h2-3,6,8,15,19H,4-5,7,9-14,16H2,1H3/t19-/m0/s1.

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

1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 399.49 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 125010412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).