(2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide

C27H29ClN6O4 — CID 118336975

About (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide

(2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide (PubChem CID 118336975) has the molecular formula C27H29ClN6O4 and a molecular weight of 537.02 g/mol. Its IUPAC name is (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide
• PubChem CID: 118336975
• Molecular Formula: C27H29ClN6O4
• Molecular Weight: 537.02 g/mol
• Exact Mass: 536.19
• IUPAC Name: (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide
• SMILES: CCOc1ccc(Cl)cc1-c1nnc([C@H]2CC[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)N2C)o1
• InChI: InChI=1S/C27H29ClN6O4/c1-5-37-22-14-11-17(28)15-19(22)25-30-31-26(38-25)21-13-12-20(32(21)3)24(35)29-23-16(2)33(4)34(27(23)36)18-9-7-6-8-10-18/h6-11,14-15,20-21H,5,12-13H2,1-4H3,(H,29,35)/t20-,21+/m0/s1
• InChIKey: RPNDIXWJHLHGIT-LEWJYISDSA-N
• XLogP: 4.36
• TPSA: 107.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.02
LogP ≤ 5	4.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide?

The IUPAC name of (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide (CID 118336975) is (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide.

What is the SMILES notation for (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide?

The canonical SMILES for (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide is CCOc1ccc(Cl)cc1-c1nnc([C@H]2CC[C@@H](C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)N2C)o1.

What is the InChIKey of (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide?

The InChIKey is RPNDIXWJHLHGIT-LEWJYISDSA-N. The full InChI is InChI=1S/C27H29ClN6O4/c1-5-37-22-14-11-17(28)15-19(22)25-30-31-26(38-25)21-13-12-20(32(21)3)24(35)29-23-16(2)33(4)34(27(23)36)18-9-7-6-8-10-18/h6-11,14-15,20-21H,5,12-13H2,1-4H3,(H,29,35)/t20-,21+/m0/s1.

What are the key properties of (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide?

(2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide has a molecular weight of 537.02 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,5R)-5-[5-(5-chloro-2-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 118336975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).