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

C20H18Cl2N4O2 — CID 7288640

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

(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (PubChem CID 7288640) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is (2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

Molecular Properties

• Compound Name: (2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
• PubChem CID: 7288640
• Molecular Formula: C20H18Cl2N4O2
• Molecular Weight: 417.30 g/mol
• Exact Mass: 416.08
• IUPAC Name: (2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
• SMILES: Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1
• InChI: InChI=1S/C20H18Cl2N4O2/c1-12-4-2-5-13(10-12)18-24-19(28-25-18)17-6-3-9-26(17)20(27)23-14-7-8-15(21)16(22)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,23,27)/t17-/m0/s1
• InChIKey: WBYVBRSKKQSHPQ-KRWDZBQOSA-N
• XLogP: 5.72
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	417.30
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of (2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide (CID 7288640) is (2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide.

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

The canonical SMILES for (2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is Cc1cccc(-c2noc([C@@H]3CCCN3C(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1.

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

The InChIKey is WBYVBRSKKQSHPQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H18Cl2N4O2/c1-12-4-2-5-13(10-12)18-24-19(28-25-18)17-6-3-9-26(17)20(27)23-14-7-8-15(21)16(22)11-14/h2,4-5,7-8,10-11,17H,3,6,9H2,1H3,(H,23,27)/t17-/m0/s1.

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

(2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide has a molecular weight of 417.30 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-N-(3,4-dichlorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 7288640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).