(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide

C26H29N5O4 — CID 140763345

About (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide

(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide (PubChem CID 140763345) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide.

Molecular Properties

• Compound Name: (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide
• PubChem CID: 140763345
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide
• SMILES: CNC(=O)C(c1ccc2c(c1)NC(=O)C2)[C@H](CN1CC[C@H](O)C1)c1cccc(-c2nc(C)no2)c1
• InChI: InChI=1S/C26H29N5O4/c1-15-28-26(35-30-15)19-5-3-4-16(10-19)21(14-31-9-8-20(32)13-31)24(25(34)27-2)18-7-6-17-12-23(33)29-22(17)11-18/h3-7,10-11,20-21,24,32H,8-9,12-14H2,1-2H3,(H,27,34)(H,29,33)/t20-,21+,24?/m0/s1
• InChIKey: XQADIZVVVPGFBE-LDJQHZOJSA-N
• XLogP: 2.22
• TPSA: 120.59 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide?

The IUPAC name of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide (CID 140763345) is (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide.

What is the SMILES notation for (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide?

The canonical SMILES for (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide is CNC(=O)C(c1ccc2c(c1)NC(=O)C2)[C@H](CN1CC[C@H](O)C1)c1cccc(-c2nc(C)no2)c1.

What is the InChIKey of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide?

The InChIKey is XQADIZVVVPGFBE-LDJQHZOJSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-15-28-26(35-30-15)19-5-3-4-16(10-19)21(14-31-9-8-20(32)13-31)24(25(34)27-2)18-7-6-17-12-23(33)29-22(17)11-18/h3-7,10-11,20-21,24,32H,8-9,12-14H2,1-2H3,(H,27,34)(H,29,33)/t20-,21+,24?/m0/s1.

What are the key properties of (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide?

(3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide has a molecular weight of 475.55 g/mol, XLogP of 2.22, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(2-oxo-1,3-dihydroindol-6-yl)butanamide is sourced from PubChem (CID 140763345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).