(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

C16H19N5O4 — CID 97155545

About (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide

(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 97155545) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• PubChem CID: 97155545
• Molecular Formula: C16H19N5O4
• Molecular Weight: 345.36 g/mol
• Exact Mass: 345.14
• IUPAC Name: (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
• SMILES: Cc1nonc1OCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
• InChI: InChI=1S/C16H19N5O4/c1-11-16(20-25-19-11)24-7-6-18-15(23)12-8-14(22)21(9-12)10-13-4-2-3-5-17-13/h2-5,12H,6-10H2,1H3,(H,18,23)/t12-/m1/s1
• InChIKey: RTIRWSYCFXUPHK-GFCCVEGCSA-N
• XLogP: 0.32
• TPSA: 110.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.36
LogP ≤ 5	0.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide (CID 97155545) is (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is Cc1nonc1OCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1.

What is the InChIKey of (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

The InChIKey is RTIRWSYCFXUPHK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-11-16(20-25-19-11)24-7-6-18-15(23)12-8-14(22)21(9-12)10-13-4-2-3-5-17-13/h2-5,12H,6-10H2,1H3,(H,18,23)/t12-/m1/s1.

What are the key properties of (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide?

(3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[2-[(4-methyl-1,2,5-oxadiazol-3-yl)oxy]ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97155545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).