N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

C20H21N5O3S — CID 97018156

About N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide

N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 97018156) has the molecular formula C20H21N5O3S and a molecular weight of 411.49 g/mol. Its IUPAC name is N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

• Compound Name: N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
• PubChem CID: 97018156
• Molecular Formula: C20H21N5O3S
• Molecular Weight: 411.49 g/mol
• Exact Mass: 411.14
• IUPAC Name: N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide
• SMILES: O=C(CCCc1nc(-c2cccs2)no1)N[C@H]1CCN(C(=O)c2ccccn2)C1
• InChI: InChI=1S/C20H21N5O3S/c26-17(7-3-8-18-23-19(24-28-18)16-6-4-12-29-16)22-14-9-11-25(13-14)20(27)15-5-1-2-10-21-15/h1-2,4-6,10,12,14H,3,7-9,11,13H2,(H,22,26)/t14-/m0/s1
• InChIKey: BJPGHFXKKKSQEZ-AWEZNQCLSA-N
• XLogP: 2.55
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.49
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The IUPAC name of N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide (CID 97018156) is N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide.

What is the SMILES notation for N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The canonical SMILES for N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is O=C(CCCc1nc(-c2cccs2)no1)N[C@H]1CCN(C(=O)c2ccccn2)C1.

What is the InChIKey of N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

The InChIKey is BJPGHFXKKKSQEZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H21N5O3S/c26-17(7-3-8-18-23-19(24-28-18)16-6-4-12-29-16)22-14-9-11-25(13-14)20(27)15-5-1-2-10-21-15/h1-2,4-6,10,12,14H,3,7-9,11,13H2,(H,22,26)/t14-/m0/s1.

What are the key properties of N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide?

N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 411.49 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 97018156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).