2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole

C30H25N5O6 — CID 69217063

About 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole

2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole (PubChem CID 69217063) has the molecular formula C30H25N5O6 and a molecular weight of 551.56 g/mol. Its IUPAC name is 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole
• PubChem CID: 69217063
• Molecular Formula: C30H25N5O6
• Molecular Weight: 551.56 g/mol
• Exact Mass: 551.18
• IUPAC Name: 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole
• SMILES: COc1cc(COc2nn(-c3ccccc3)cc2/C=C/c2nnco2)ccc1OCc1nc(-c2ccco2)oc1C
• InChI: InChI=1S/C30H25N5O6/c1-20-24(32-30(41-20)26-9-6-14-37-26)18-38-25-12-10-21(15-27(25)36-2)17-39-29-22(11-13-28-33-31-19-40-28)16-35(34-29)23-7-4-3-5-8-23/h3-16,19H,17-18H2,1-2H3/b13-11+
• InChIKey: XXNRPSYEMGRDHB-ACCUITESSA-N
• XLogP: 6.15
• TPSA: 123.60 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	551.56
LogP ≤ 5	6.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole (CID 69217063) is 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole is COc1cc(COc2nn(-c3ccccc3)cc2/C=C/c2nnco2)ccc1OCc1nc(-c2ccco2)oc1C.

What is the InChIKey of 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole?

The InChIKey is XXNRPSYEMGRDHB-ACCUITESSA-N. The full InChI is InChI=1S/C30H25N5O6/c1-20-24(32-30(41-20)26-9-6-14-37-26)18-38-25-12-10-21(15-27(25)36-2)17-39-29-22(11-13-28-33-31-19-40-28)16-35(34-29)23-7-4-3-5-8-23/h3-16,19H,17-18H2,1-2H3/b13-11+.

What are the key properties of 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole?

2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole has a molecular weight of 551.56 g/mol, XLogP of 6.15, 11 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(E)-2-[3-[[4-[[2-(furan-2-yl)-5-methyl-1,3-oxazol-4-yl]methoxy]-3-methoxyphenyl]methoxy]-1-phenylpyrazol-4-yl]ethenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 69217063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).