ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate

C42H38N4O7 — CID 23024781

About ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate

ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate (PubChem CID 23024781) has the molecular formula C42H38N4O7 and a molecular weight of 710.79 g/mol. Its IUPAC name is ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

• Compound Name: ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate
• PubChem CID: 23024781
• Molecular Formula: C42H38N4O7
• Molecular Weight: 710.79 g/mol
• Exact Mass: 710.27
• IUPAC Name: ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate
• SMILES: CCOC(=O)c1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1
• InChI: InChI=1S/C42H38N4O7/c1-4-48-42(47)36-24-46(23-30-15-19-34(20-16-30)49-26-37-28(2)52-39(43-37)32-11-7-5-8-12-32)45-41(36)51-25-31-17-21-35(22-18-31)50-27-38-29(3)53-40(44-38)33-13-9-6-10-14-33/h5-22,24H,4,23,25-27H2,1-3H3
• InChIKey: SDOUFAHRHAAGKH-UHFFFAOYSA-N
• XLogP: 8.77
• TPSA: 123.87 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 15
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	710.79
LogP ≤ 5	8.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate (CID 23024781) is ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate.

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

The canonical SMILES for ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate is CCOC(=O)c1cn(Cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2)nc1OCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1.

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

The InChIKey is SDOUFAHRHAAGKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H38N4O7/c1-4-48-42(47)36-24-46(23-30-15-19-34(20-16-30)49-26-37-28(2)52-39(43-37)32-11-7-5-8-12-32)45-41(36)51-25-31-17-21-35(22-18-31)50-27-38-29(3)53-40(44-38)33-13-9-6-10-14-33/h5-22,24H,4,23,25-27H2,1-3H3.

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

ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate has a molecular weight of 710.79 g/mol, XLogP of 8.77, 15 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 3-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 23024781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).