5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide

C28H34N6O6 — CID 90786127

About 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide

5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 90786127) has the molecular formula C28H34N6O6 and a molecular weight of 550.62 g/mol. Its IUPAC name is 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide
• PubChem CID: 90786127
• Molecular Formula: C28H34N6O6
• Molecular Weight: 550.62 g/mol
• Exact Mass: 550.25
• IUPAC Name: 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide
• SMILES: Cc1oncc1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)c1nnc(-c2ccccc2)o1)C(C)C)C(C)C
• InChI: InChI=1S/C28H34N6O6/c1-15(2)21(23(35)27-33-32-26(39-27)18-10-7-6-8-11-18)30-25(37)20-12-9-13-34(20)28(38)22(16(3)4)31-24(36)19-14-29-40-17(19)5/h6-8,10-11,14-16,20-22H,9,12-13H2,1-5H3,(H,30,37)(H,31,36)
• InChIKey: RFOXFTVQUUHEQF-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 160.53 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	550.62
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide?

The IUPAC name of 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide (CID 90786127) is 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide.

What is the SMILES notation for 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide?

The canonical SMILES for 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide is Cc1oncc1C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)c1nnc(-c2ccccc2)o1)C(C)C)C(C)C.

What is the InChIKey of 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide?

The InChIKey is RFOXFTVQUUHEQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O6/c1-15(2)21(23(35)27-33-32-26(39-27)18-10-7-6-8-11-18)30-25(37)20-12-9-13-34(20)28(38)22(16(3)4)31-24(36)19-14-29-40-17(19)5/h6-8,10-11,14-16,20-22H,9,12-13H2,1-5H3,(H,30,37)(H,31,36).

What are the key properties of 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide?

5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 550.62 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-N-[3-methyl-1-[2-[[3-methyl-1-oxo-1-(5-phenyl-1,3,4-oxadiazol-2-yl)butan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 90786127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).