tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione

C43H51N13O8 — CID 158634490

About tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione

tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione (PubChem CID 158634490) has the molecular formula C43H51N13O8 and a molecular weight of 877.96 g/mol. Its IUPAC name is tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
• PubChem CID: 158634490
• Molecular Formula: C43H51N13O8
• Molecular Weight: 877.96 g/mol
• Exact Mass: 877.40
• IUPAC Name: tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione
• SMILES: Cc1nn(C)cc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O.Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(CNC(=O)OC(C)(C)C)c3)C2=O)cn1
• InChI: InChI=1S/C25H30N6O5.C18H21N7O3/c1-16-21(17(2)36-28-16)14-30-13-20(11-27-30)31-22(32)15-29(24(31)34)12-19-8-6-7-18(9-19)10-26-23(33)35-25(3,4)5;1-11-14(6-22(4)20-11)7-23-10-17(26)25(18(23)27)15-5-19-24(8-15)9-16-12(2)21-28-13(16)3/h6-9,11,13H,10,12,14-15H2,1-5H3,(H,26,33);5-6,8H,7,9-10H2,1-4H3
• InChIKey: HZPIUUBIMMBBQD-UHFFFAOYSA-N
• XLogP: 5.08
• TPSA: 225.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	877.96
LogP ≤ 5	5.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?

The IUPAC name of tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione (CID 158634490) is tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione.

What is the SMILES notation for tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?

The canonical SMILES for tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione is Cc1nn(C)cc1CN1CC(=O)N(c2cnn(Cc3c(C)noc3C)c2)C1=O.Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3cccc(CNC(=O)OC(C)(C)C)c3)C2=O)cn1.

What is the InChIKey of tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?

The InChIKey is HZPIUUBIMMBBQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O5.C18H21N7O3/c1-16-21(17(2)36-28-16)14-30-13-20(11-27-30)31-22(32)15-29(24(31)34)12-19-8-6-7-18(9-19)10-26-23(33)35-25(3,4)5;1-11-14(6-22(4)20-11)7-23-10-17(26)25(18(23)27)15-5-19-24(8-15)9-16-12(2)21-28-13(16)3/h6-9,11,13H,10,12,14-15H2,1-5H3,(H,26,33);5-6,8H,7,9-10H2,1-4H3.

What are the key properties of tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione?

tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 877.96 g/mol, XLogP of 5.08, 12 rotatable bonds, 1 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[[3-[[3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2,4-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]carbamate;3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[(1,3-dimethylpyrazol-4-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 158634490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).