tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate

C34H39N7O5S — CID 76552114

About tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate

tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate (PubChem CID 76552114) has the molecular formula C34H39N7O5S and a molecular weight of 657.80 g/mol. Its IUPAC name is tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate
• PubChem CID: 76552114
• Molecular Formula: C34H39N7O5S
• Molecular Weight: 657.80 g/mol
• Exact Mass: 657.27
• IUPAC Name: tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate
• SMILES: Cc1csc(C2CCCN2C(=O)c2cc(-c3nnc(C(C)(Cc4ccccc4)NC(=O)OC(C)(C)C)o3)nc(N3CCCC3=O)c2)n1
• InChI: InChI=1S/C34H39N7O5S/c1-21-20-47-29(35-21)25-13-9-15-40(25)30(43)23-17-24(36-26(18-23)41-16-10-14-27(41)42)28-38-39-31(45-28)34(5,19-22-11-7-6-8-12-22)37-32(44)46-33(2,3)4/h6-8,11-12,17-18,20,25H,9-10,13-16,19H2,1-5H3,(H,37,44)
• InChIKey: DPYYVMOHCYCCDA-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 143.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.80
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate (CID 76552114) is tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate.

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

The canonical SMILES for tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate is Cc1csc(C2CCCN2C(=O)c2cc(-c3nnc(C(C)(Cc4ccccc4)NC(=O)OC(C)(C)C)o3)nc(N3CCCC3=O)c2)n1.

What is the InChIKey of tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate?

The InChIKey is DPYYVMOHCYCCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N7O5S/c1-21-20-47-29(35-21)25-13-9-15-40(25)30(43)23-17-24(36-26(18-23)41-16-10-14-27(41)42)28-38-39-31(45-28)34(5,19-22-11-7-6-8-12-22)37-32(44)46-33(2,3)4/h6-8,11-12,17-18,20,25H,9-10,13-16,19H2,1-5H3,(H,37,44).

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

tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate has a molecular weight of 657.80 g/mol, XLogP of 5.98, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[5-[4-[2-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carbonyl]-6-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]-1-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 76552114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).