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

C29H28N8O4S — CID 67515887

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

[(2R)-2-[5-[6-imidazol-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] carbamate (PubChem CID 67515887) has the molecular formula C29H28N8O4S and a molecular weight of 584.66 g/mol. Its IUPAC name is [(2R)-2-[5-[6-imidazol-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] carbamate.

Molecular Properties

• Compound Name: [(2R)-2-[5-[6-imidazol-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] carbamate
• PubChem CID: 67515887
• Molecular Formula: C29H28N8O4S
• Molecular Weight: 584.66 g/mol
• Exact Mass: 584.20
• IUPAC Name: [(2R)-2-[5-[6-imidazol-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] carbamate
• SMILES: Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)OC(N)=O)o3)nc(-n3ccnc3)c2)n1
• InChI: InChI=1S/C29H28N8O4S/c1-18-16-42-25(32-18)22-9-6-11-37(22)26(38)20-13-21(33-23(14-20)36-12-10-31-17-36)24-34-35-27(40-24)29(2,41-28(30)39)15-19-7-4-3-5-8-19/h3-5,7-8,10,12-14,16-17,22H,6,9,11,15H2,1-2H3,(H2,30,39)/t22-,29-/m1/s1
• InChIKey: WFQKVBAFWXPWJU-KPURRNSFSA-N
• XLogP: 4.61
• TPSA: 155.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	584.66
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of [(2R)-2-[5-[6-imidazol-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] carbamate (CID 67515887) is [(2R)-2-[5-[6-imidazol-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] carbamate.

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

The canonical SMILES for [(2R)-2-[5-[6-imidazol-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] carbamate is Cc1csc([C@H]2CCCN2C(=O)c2cc(-c3nnc([C@@](C)(Cc4ccccc4)OC(N)=O)o3)nc(-n3ccnc3)c2)n1.

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

The InChIKey is WFQKVBAFWXPWJU-KPURRNSFSA-N. The full InChI is InChI=1S/C29H28N8O4S/c1-18-16-42-25(32-18)22-9-6-11-37(22)26(38)20-13-21(33-23(14-20)36-12-10-31-17-36)24-34-35-27(40-24)29(2,41-28(30)39)15-19-7-4-3-5-8-19/h3-5,7-8,10,12-14,16-17,22H,6,9,11,15H2,1-2H3,(H2,30,39)/t22-,29-/m1/s1.

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

[(2R)-2-[5-[6-imidazol-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] carbamate has a molecular weight of 584.66 g/mol, XLogP of 4.61, 8 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-2-[5-[6-imidazol-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] carbamate is sourced from PubChem (CID 67515887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).