[(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate

C33H29N7O4S — CID 67514707

About [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate

[(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate (PubChem CID 67514707) has the molecular formula C33H29N7O4S and a molecular weight of 619.71 g/mol. Its IUPAC name is [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate.

Molecular Properties

• Compound Name: [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate
• PubChem CID: 67514707
• Molecular Formula: C33H29N7O4S
• Molecular Weight: 619.71 g/mol
• Exact Mass: 619.20
• IUPAC Name: [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)OC(N)=O)o3)nc(-c3ccccc3C#N)c2)n1
• InChI: InChI=1S/C33H29N7O4S/c1-20-19-45-29(36-20)27-13-8-14-40(27)30(41)23-15-25(24-12-7-6-11-22(24)18-34)37-26(16-23)28-38-39-31(43-28)33(2,44-32(35)42)17-21-9-4-3-5-10-21/h3-7,9-12,15-16,19,27H,8,13-14,17H2,1-2H3,(H2,35,42)/t27-,33-/m1/s1
• InChIKey: SEYKZHGGEZSSNE-ZORMNXRFSA-N
• XLogP: 5.97
• TPSA: 161.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	619.71
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate?

The IUPAC name of [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate (CID 67514707) is [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate.

What is the SMILES notation for [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate?

The canonical SMILES for [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)OC(N)=O)o3)nc(-c3ccccc3C#N)c2)n1.

What is the InChIKey of [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate?

The InChIKey is SEYKZHGGEZSSNE-ZORMNXRFSA-N. The full InChI is InChI=1S/C33H29N7O4S/c1-20-19-45-29(36-20)27-13-8-14-40(27)30(41)23-15-25(24-12-7-6-11-22(24)18-34)37-26(16-23)28-38-39-31(43-28)33(2,44-32(35)42)17-21-9-4-3-5-10-21/h3-7,9-12,15-16,19,27H,8,13-14,17H2,1-2H3,(H2,35,42)/t27-,33-/m1/s1.

What are the key properties of [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate?

[(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate has a molecular weight of 619.71 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[6-(2-cyanophenyl)-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] carbamate is sourced from PubChem (CID 67514707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).