(3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C22H28N4O3 — CID 97121063

About (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

(3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 97121063) has the molecular formula C22H28N4O3 and a molecular weight of 396.49 g/mol. Its IUPAC name is (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
• PubChem CID: 97121063
• Molecular Formula: C22H28N4O3
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.22
• IUPAC Name: (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
• SMILES: CC(C)c1ccc(N2C[C@H](C(=O)NCc3noc(C4CCCC4)n3)CC2=O)cc1
• InChI: InChI=1S/C22H28N4O3/c1-14(2)15-7-9-18(10-8-15)26-13-17(11-20(26)27)21(28)23-12-19-24-22(29-25-19)16-5-3-4-6-16/h7-10,14,16-17H,3-6,11-13H2,1-2H3,(H,23,28)/t17-/m1/s1
• InChIKey: RUTHSXCKOOWKAL-QGZVFWFLSA-N
• XLogP: 3.52
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The IUPAC name of (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 97121063) is (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

What is the SMILES notation for (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The canonical SMILES for (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is CC(C)c1ccc(N2C[C@H](C(=O)NCc3noc(C4CCCC4)n3)CC2=O)cc1.

What is the InChIKey of (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

The InChIKey is RUTHSXCKOOWKAL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H28N4O3/c1-14(2)15-7-9-18(10-8-15)26-13-17(11-20(26)27)21(28)23-12-19-24-22(29-25-19)16-5-3-4-6-16/h7-10,14,16-17H,3-6,11-13H2,1-2H3,(H,23,28)/t17-/m1/s1.

What are the key properties of (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?

(3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl]-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 97121063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).