(2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

C20H18F2N4O2 — CID 95116651

About (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide

(2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 95116651) has the molecular formula C20H18F2N4O2 and a molecular weight of 384.39 g/mol. Its IUPAC name is (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
• PubChem CID: 95116651
• Molecular Formula: C20H18F2N4O2
• Molecular Weight: 384.39 g/mol
• Exact Mass: 384.14
• IUPAC Name: (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
• SMILES: Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cc(F)ccc2F)n1
• InChI: InChI=1S/C20H18F2N4O2/c1-12-5-2-3-6-14(12)18-24-19(28-25-18)17-7-4-10-26(17)20(27)23-16-11-13(21)8-9-15(16)22/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,23,27)/t17-/m0/s1
• InChIKey: CURYPUOBNXSPPM-KRWDZBQOSA-N
• XLogP: 4.69
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.39
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?

The IUPAC name of (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 95116651) is (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

What is the SMILES notation for (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?

The canonical SMILES for (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is Cc1ccccc1-c1noc([C@@H]2CCCN2C(=O)Nc2cc(F)ccc2F)n1.

What is the InChIKey of (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?

The InChIKey is CURYPUOBNXSPPM-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18F2N4O2/c1-12-5-2-3-6-14(12)18-24-19(28-25-18)17-7-4-10-26(17)20(27)23-16-11-13(21)8-9-15(16)22/h2-3,5-6,8-9,11,17H,4,7,10H2,1H3,(H,23,27)/t17-/m0/s1.

What are the key properties of (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide?

(2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 384.39 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(2,5-difluorophenyl)-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 95116651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).