1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

C33H44N6O5 — CID 168901659

About 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (PubChem CID 168901659) has the molecular formula C33H44N6O5 and a molecular weight of 604.75 g/mol. Its IUPAC name is 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
• PubChem CID: 168901659
• Molecular Formula: C33H44N6O5
• Molecular Weight: 604.75 g/mol
• Exact Mass: 604.34
• IUPAC Name: 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide
• SMILES: Cc1nccn1-c1ccc(C(C)NC(=O)C2CCCN2C(=O)Cc2cc(OCCN3CCC(OC4CCC4)CC3)no2)cc1
• InChI: InChI=1S/C33H44N6O5/c1-23(25-8-10-26(11-9-25)38-18-14-34-24(38)2)35-33(41)30-7-4-15-39(30)32(40)22-29-21-31(36-44-29)42-20-19-37-16-12-28(13-17-37)43-27-5-3-6-27/h8-11,14,18,21,23,27-28,30H,3-7,12-13,15-17,19-20,22H2,1-2H3,(H,35,41)
• InChIKey: AKUYTSGOEMMZTB-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 114.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	604.75
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?

The IUPAC name of 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide (CID 168901659) is 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?

The canonical SMILES for 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is Cc1nccn1-c1ccc(C(C)NC(=O)C2CCCN2C(=O)Cc2cc(OCCN3CCC(OC4CCC4)CC3)no2)cc1.

What is the InChIKey of 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?

The InChIKey is AKUYTSGOEMMZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H44N6O5/c1-23(25-8-10-26(11-9-25)38-18-14-34-24(38)2)35-33(41)30-7-4-15-39(30)32(40)22-29-21-31(36-44-29)42-20-19-37-16-12-28(13-17-37)43-27-5-3-6-27/h8-11,14,18,21,23,27-28,30H,3-7,12-13,15-17,19-20,22H2,1-2H3,(H,35,41).

What are the key properties of 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide?

1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide has a molecular weight of 604.75 g/mol, XLogP of 3.99, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[3-[2-(4-cyclobutyloxypiperidin-1-yl)ethoxy]-1,2-oxazol-5-yl]acetyl]-N-[1-[4-(2-methylimidazol-1-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 168901659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).