tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate

C31H35N5O6 — CID 11285484

About tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate

tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate (PubChem CID 11285484) has the molecular formula C31H35N5O6 and a molecular weight of 573.65 g/mol. Its IUPAC name is tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate
• PubChem CID: 11285484
• Molecular Formula: C31H35N5O6
• Molecular Weight: 573.65 g/mol
• Exact Mass: 573.26
• IUPAC Name: tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate
• SMILES: Cc1cc(COc2ccc(C3(CNC(=O)OC(C)(C)C)CC(CC4(C)NC(=O)NC4=O)=NO3)cc2)c2ccccc2n1
• InChI: InChI=1S/C31H35N5O6/c1-19-14-20(24-8-6-7-9-25(24)33-19)17-40-23-12-10-21(11-13-23)31(18-32-28(39)41-29(2,3)4)16-22(36-42-31)15-30(5)26(37)34-27(38)35-30/h6-14H,15-18H2,1-5H3,(H,32,39)(H2,34,35,37,38)
• InChIKey: SHIRIIUBHOMATL-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 140.24 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	573.65
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydantoin', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate?

The IUPAC name of tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate (CID 11285484) is tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate.

What is the SMILES notation for tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate?

The canonical SMILES for tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate is Cc1cc(COc2ccc(C3(CNC(=O)OC(C)(C)C)CC(CC4(C)NC(=O)NC4=O)=NO3)cc2)c2ccccc2n1.

What is the InChIKey of tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate?

The InChIKey is SHIRIIUBHOMATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O6/c1-19-14-20(24-8-6-7-9-25(24)33-19)17-40-23-12-10-21(11-13-23)31(18-32-28(39)41-29(2,3)4)16-22(36-42-31)15-30(5)26(37)34-27(38)35-30/h6-14H,15-18H2,1-5H3,(H,32,39)(H2,34,35,37,38).

What are the key properties of tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate?

tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate has a molecular weight of 573.65 g/mol, XLogP of 4.61, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[3-[(4-methyl-2,5-dioxoimidazolidin-4-yl)methyl]-5-[4-[(2-methylquinolin-4-yl)methoxy]phenyl]-4H-1,2-oxazol-5-yl]methyl]carbamate is sourced from PubChem (CID 11285484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).