N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

C34H42N4O5 — CID 166501293

About N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide

N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide (PubChem CID 166501293) has the molecular formula C34H42N4O5 and a molecular weight of 586.73 g/mol. Its IUPAC name is N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
• PubChem CID: 166501293
• Molecular Formula: C34H42N4O5
• Molecular Weight: 586.73 g/mol
• Exact Mass: 586.32
• IUPAC Name: N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide
• SMILES: Cc1oncc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1
• InChI: InChI=1S/C34H42N4O5/c1-19(2)30(38-17-23-10-8-9-11-26(23)32(38)41)33(42)37-18-24(39)15-29(37)31(40)36-20(3)25-13-12-22(14-28(25)34(5,6)7)27-16-35-43-21(27)4/h8-14,16,19-20,24,29-30,39H,15,17-18H2,1-7H3,(H,36,40)
• InChIKey: YHPGUOCXGSQRLT-UHFFFAOYSA-N
• XLogP: 4.77
• TPSA: 115.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.73
LogP ≤ 5	4.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?

The IUPAC name of N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide (CID 166501293) is N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide.

What is the SMILES notation for N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?

The canonical SMILES for N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide is Cc1oncc1-c1ccc(C(C)NC(=O)C2CC(O)CN2C(=O)C(C(C)C)N2Cc3ccccc3C2=O)c(C(C)(C)C)c1.

What is the InChIKey of N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?

The InChIKey is YHPGUOCXGSQRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O5/c1-19(2)30(38-17-23-10-8-9-11-26(23)32(38)41)33(42)37-18-24(39)15-29(37)31(40)36-20(3)25-13-12-22(14-28(25)34(5,6)7)27-16-35-43-21(27)4/h8-14,16,19-20,24,29-30,39H,15,17-18H2,1-7H3,(H,36,40).

What are the key properties of N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide?

N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide has a molecular weight of 586.73 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-tert-butyl-4-(5-methyl-1,2-oxazol-4-yl)phenyl]ethyl]-4-hydroxy-1-[3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanoyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166501293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).