[(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

C31H33N7O5S — CID 67515096

About [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid

[(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (PubChem CID 67515096) has the molecular formula C31H33N7O5S and a molecular weight of 615.72 g/mol. Its IUPAC name is [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• PubChem CID: 67515096
• Molecular Formula: C31H33N7O5S
• Molecular Weight: 615.72 g/mol
• Exact Mass: 615.23
• IUPAC Name: [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)nc(N3C(=O)CCC3C)c2)n1
• InChI: InChI=1S/C31H33N7O5S/c1-18-17-44-27(32-18)23-10-7-13-37(23)28(40)21-14-22(33-24(15-21)38-19(2)11-12-25(38)39)26-35-36-29(43-26)31(3,34-30(41)42)16-20-8-5-4-6-9-20/h4-6,8-9,14-15,17,19,23,34H,7,10-13,16H2,1-3H3,(H,41,42)/t19?,23-,31-/m1/s1
• InChIKey: RVSXRSHWVUAYJT-KVJGCPLGSA-N
• XLogP: 5.11
• TPSA: 154.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	615.72
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The IUPAC name of [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid (CID 67515096) is [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid.

What is the SMILES notation for [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The canonical SMILES for [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)NC(=O)O)o3)nc(N3C(=O)CCC3C)c2)n1.

What is the InChIKey of [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

The InChIKey is RVSXRSHWVUAYJT-KVJGCPLGSA-N. The full InChI is InChI=1S/C31H33N7O5S/c1-18-17-44-27(32-18)23-10-7-13-37(23)28(40)21-14-22(33-24(15-21)38-19(2)11-12-25(38)39)26-35-36-29(43-26)31(3,34-30(41)42)16-20-8-5-4-6-9-20/h4-6,8-9,14-15,17,19,23,34H,7,10-13,16H2,1-3H3,(H,41,42)/t19?,23-,31-/m1/s1.

What are the key properties of [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid?

[(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid has a molecular weight of 615.72 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[6-(2-methyl-5-oxopyrrolidin-1-yl)-4-[(2R)-2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamic acid is sourced from PubChem (CID 67515096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).