2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate

C36H34N4O5 — CID 23402705

About 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate (PubChem CID 23402705) has the molecular formula C36H34N4O5 and a molecular weight of 602.69 g/mol. Its IUPAC name is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate.

Molecular Properties

• Compound Name: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate
• PubChem CID: 23402705
• Molecular Formula: C36H34N4O5
• Molecular Weight: 602.69 g/mol
• Exact Mass: 602.25
• IUPAC Name: 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate
• SMILES: Cc1nc(CCOc2cccc(Cc3cn(-c4ccccc4)nc3C(=O)OCCc3nc(-c4ccccc4)oc3C)c2)c(C)o1
• InChI: InChI=1S/C36H34N4O5/c1-24-32(37-26(3)44-24)17-19-42-31-16-10-11-27(22-31)21-29-23-40(30-14-8-5-9-15-30)39-34(29)36(41)43-20-18-33-25(2)45-35(38-33)28-12-6-4-7-13-28/h4-16,22-23H,17-21H2,1-3H3
• InChIKey: CWXBDSHRQUDPAD-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 105.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	602.69
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate?

The IUPAC name of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate (CID 23402705) is 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate.

What is the SMILES notation for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate?

The canonical SMILES for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate is Cc1nc(CCOc2cccc(Cc3cn(-c4ccccc4)nc3C(=O)OCCc3nc(-c4ccccc4)oc3C)c2)c(C)o1.

What is the InChIKey of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate?

The InChIKey is CWXBDSHRQUDPAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34N4O5/c1-24-32(37-26(3)44-24)17-19-42-31-16-10-11-27(22-31)21-29-23-40(30-14-8-5-9-15-30)39-34(29)36(41)43-20-18-33-25(2)45-35(38-33)28-12-6-4-7-13-28/h4-16,22-23H,17-21H2,1-3H3.

What are the key properties of 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate?

2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate has a molecular weight of 602.69 g/mol, XLogP of 7.05, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl 4-[[3-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-phenylpyrazole-3-carboxylate is sourced from PubChem (CID 23402705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).