1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

C21H29N3O2S — CID 26319404

About 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one

1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (PubChem CID 26319404) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

• Compound Name: 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
• PubChem CID: 26319404
• Molecular Formula: C21H29N3O2S
• Molecular Weight: 387.55 g/mol
• Exact Mass: 387.20
• IUPAC Name: 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one
• SMILES: Cc1ccc(-c2nc(CN3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)s1
• InChI: InChI=1S/C21H29N3O2S/c1-15-8-9-19(27-15)21-22-18(16(2)26-21)14-24-11-4-3-6-17(24)10-13-23-12-5-7-20(23)25/h8-9,17H,3-7,10-14H2,1-2H3/t17-/m0/s1
• InChIKey: QNLOMRWTCHGWBJ-KRWDZBQOSA-N
• XLogP: 4.39
• TPSA: 49.58 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.55
LogP ≤ 5	4.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?

The IUPAC name of 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one (CID 26319404) is 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one.

What is the SMILES notation for 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?

The canonical SMILES for 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is Cc1ccc(-c2nc(CN3CCCC[C@H]3CCN3CCCC3=O)c(C)o2)s1.

What is the InChIKey of 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?

The InChIKey is QNLOMRWTCHGWBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-15-8-9-19(27-15)21-22-18(16(2)26-21)14-24-11-4-3-6-17(24)10-13-23-12-5-7-20(23)25/h8-9,17H,3-7,10-14H2,1-2H3/t17-/m0/s1.

What are the key properties of 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one?

1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one has a molecular weight of 387.55 g/mol, XLogP of 4.39, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2S)-1-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]piperidin-2-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 26319404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).