(2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C17H23N5O3 — CID 100837496

About (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

(2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 100837496) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

• Compound Name: (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
• PubChem CID: 100837496
• Molecular Formula: C17H23N5O3
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.18
• IUPAC Name: (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
• SMILES: Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H](c3noc(C4CC4)n3)C2)on1
• InChI: InChI=1S/C17H23N5O3/c1-10-8-14(24-20-10)18-16(23)11(2)22-7-3-4-13(9-22)15-19-17(25-21-15)12-5-6-12/h8,11-13H,3-7,9H2,1-2H3,(H,18,23)/t11-,13-/m1/s1
• InChIKey: XHMRFQIFIKYDJB-DGCLKSJQSA-N
• XLogP: 2.45
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?

The IUPAC name of (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 100837496) is (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

What is the SMILES notation for (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?

The canonical SMILES for (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H](c3noc(C4CC4)n3)C2)on1.

What is the InChIKey of (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?

The InChIKey is XHMRFQIFIKYDJB-DGCLKSJQSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-10-8-14(24-20-10)18-16(23)11(2)22-7-3-4-13(9-22)15-19-17(25-21-15)12-5-6-12/h8,11-13H,3-7,9H2,1-2H3,(H,18,23)/t11-,13-/m1/s1.

What are the key properties of (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?

(2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 345.40 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[(3R)-3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 100837496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).