[(2R)-2-[5-[6-(2-methylpyrazol-3-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

C30H30N8O4S — CID 67516218

About [(2R)-2-[5-[6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-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 67516218) has the molecular formula C30H30N8O4S and a molecular weight of 598.69 g/mol. Its IUPAC name is [(2R)-2-[5-[6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-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: 67516218
• Molecular Formula: C30H30N8O4S
• Molecular Weight: 598.69 g/mol
• Exact Mass: 598.21
• IUPAC Name: [(2R)-2-[5-[6-(2-methylpyrazol-3-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(-c3ccnn3C)c2)n1
• InChI: InChI=1S/C30H30N8O4S/c1-18-17-43-26(33-18)24-10-7-13-38(24)27(39)20-14-21(23-11-12-32-37(23)3)34-22(15-20)25-35-36-28(41-25)30(2,42-29(31)40)16-19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15,17,24H,7,10,13,16H2,1-3H3,(H2,31,40)/t24-,30-/m1/s1
• InChIKey: VBGPXFBEOSKXPP-AYWVHJORSA-N
• XLogP: 4.83
• TPSA: 155.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	598.69
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-[6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-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 67516218) is [(2R)-2-[5-[6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-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-(2-methylpyrazol-3-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(-c3ccnn3C)c2)n1.

What is the InChIKey of [(2R)-2-[5-[6-(2-methylpyrazol-3-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 VBGPXFBEOSKXPP-AYWVHJORSA-N. The full InChI is InChI=1S/C30H30N8O4S/c1-18-17-43-26(33-18)24-10-7-13-38(24)27(39)20-14-21(23-11-12-32-37(23)3)34-22(15-20)25-35-36-28(41-25)30(2,42-29(31)40)16-19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15,17,24H,7,10,13,16H2,1-3H3,(H2,31,40)/t24-,30-/m1/s1.

What are the key properties of [(2R)-2-[5-[6-(2-methylpyrazol-3-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-(2-methylpyrazol-3-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 598.69 g/mol, XLogP of 4.83, 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-(2-methylpyrazol-3-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 67516218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).