(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide

C18H21FN6O2 — CID 126448278

About (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide

(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 126448278) has the molecular formula C18H21FN6O2 and a molecular weight of 372.40 g/mol. Its IUPAC name is (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
• PubChem CID: 126448278
• Molecular Formula: C18H21FN6O2
• Molecular Weight: 372.40 g/mol
• Exact Mass: 372.17
• IUPAC Name: (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
• SMILES: CCc1noc(CCNC(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)n1
• InChI: InChI=1S/C18H21FN6O2/c1-2-15-23-16(27-24-15)7-8-20-18(26)25-9-3-4-14(25)17-21-12-6-5-11(19)10-13(12)22-17/h5-6,10,14H,2-4,7-9H2,1H3,(H,20,26)(H,21,22)/t14-/m0/s1
• InChIKey: RDEUADXCAJLJEI-AWEZNQCLSA-N
• XLogP: 2.74
• TPSA: 99.94 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	372.40
LogP ≤ 5	2.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?

The IUPAC name of (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide (CID 126448278) is (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide.

What is the SMILES notation for (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?

The canonical SMILES for (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide is CCc1noc(CCNC(=O)N2CCC[C@H]2c2nc3ccc(F)cc3[nH]2)n1.

What is the InChIKey of (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?

The InChIKey is RDEUADXCAJLJEI-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21FN6O2/c1-2-15-23-16(27-24-15)7-8-20-18(26)25-9-3-4-14(25)17-21-12-6-5-11(19)10-13(12)22-17/h5-6,10,14H,2-4,7-9H2,1H3,(H,20,26)(H,21,22)/t14-/m0/s1.

What are the key properties of (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?

(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 372.40 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 126448278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).