3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide

C15H25N5O3 — CID 97217488

About 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide

3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide (PubChem CID 97217488) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide.

Molecular Properties

• Compound Name: 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide
• PubChem CID: 97217488
• Molecular Formula: C15H25N5O3
• Molecular Weight: 323.40 g/mol
• Exact Mass: 323.20
• IUPAC Name: 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide
• SMILES: CCNC(=O)CCN1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1
• InChI: InChI=1S/C15H25N5O3/c1-4-16-15(22)6-8-19-7-5-13(9-19)20(12(3)21)10-14-17-11(2)23-18-14/h13H,4-10H2,1-3H3,(H,16,22)/t13-/m1/s1
• InChIKey: RINXCFCSICTLBL-CYBMUJFWSA-N
• XLogP: 0.33
• TPSA: 91.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	323.40
LogP ≤ 5	0.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide?

The IUPAC name of 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide (CID 97217488) is 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide.

What is the SMILES notation for 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide?

The canonical SMILES for 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide is CCNC(=O)CCN1CC[C@@H](N(Cc2noc(C)n2)C(C)=O)C1.

What is the InChIKey of 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide?

The InChIKey is RINXCFCSICTLBL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-4-16-15(22)6-8-19-7-5-13(9-19)20(12(3)21)10-14-17-11(2)23-18-14/h13H,4-10H2,1-3H3,(H,16,22)/t13-/m1/s1.

What are the key properties of 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide?

3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide has a molecular weight of 323.40 g/mol, XLogP of 0.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(3R)-3-[acetyl-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 97217488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).