(2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane

C32H45N5O6S — CID 156719869

About (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane

(2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane (PubChem CID 156719869) has the molecular formula C32H45N5O6S and a molecular weight of 627.81 g/mol. Its IUPAC name is (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane.

Molecular Properties

• Compound Name: (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane
• PubChem CID: 156719869
• Molecular Formula: C32H45N5O6S
• Molecular Weight: 627.81 g/mol
• Exact Mass: 627.31
• IUPAC Name: (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane
• SMILES: CCC.COc1cc(-c2scnc2C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)Cc1cc(OCCN2CCC(O)CC2)no1
• InChI: InChI=1S/C29H37N5O6S.C3H8/c1-19-28(41-18-31-19)20-5-6-21(25(14-20)38-2)17-30-29(37)24-4-3-9-34(24)27(36)16-23-15-26(32-40-23)39-13-12-33-10-7-22(35)8-11-33;1-3-2/h5-6,14-15,18,22,24,35H,3-4,7-13,16-17H2,1-2H3,(H,30,37);3H2,1-2H3/t24-;/m0./s1
• InChIKey: USOHBQPLKNXXOS-JIDHJSLPSA-N
• XLogP: 4.22
• TPSA: 130.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	627.81
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane?

The IUPAC name of (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane (CID 156719869) is (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane.

What is the SMILES notation for (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane?

The canonical SMILES for (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane is CCC.COc1cc(-c2scnc2C)ccc1CNC(=O)[C@@H]1CCCN1C(=O)Cc1cc(OCCN2CCC(O)CC2)no1.

What is the InChIKey of (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane?

The InChIKey is USOHBQPLKNXXOS-JIDHJSLPSA-N. The full InChI is InChI=1S/C29H37N5O6S.C3H8/c1-19-28(41-18-31-19)20-5-6-21(25(14-20)38-2)17-30-29(37)24-4-3-9-34(24)27(36)16-23-15-26(32-40-23)39-13-12-33-10-7-22(35)8-11-33;1-3-2/h5-6,14-15,18,22,24,35H,3-4,7-13,16-17H2,1-2H3,(H,30,37);3H2,1-2H3/t24-;/m0./s1.

What are the key properties of (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane?

(2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane has a molecular weight of 627.81 g/mol, XLogP of 4.22, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[2-[3-[2-(4-hydroxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[[2-methoxy-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide;propane is sourced from PubChem (CID 156719869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).