2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

C26H24N2O4 — CID 19542455

IUPAC2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(/C=C\c3ccc(OC)c(COc4ccccc4)c3)o2)cc1
InChIInChI=1S/C26H24N2O4/c1-29-22-12-8-20(9-13-22)17-26-28-27-25(32-26)15-11-19-10-14-24(30-2)21(16-19)18-31-23-6-4-3-5-7-23/h3-16H,17-18H2,1-2H3/b15-11-
InChIKeyHLNKPXVNJPSBOS-PTNGSMBKSA-N
MW428.49 g/mol
LogP5.43
Rot. Bonds9

About 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole

2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole (PubChem CID 19542455) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
PubChem CID19542455
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(Cc2nnc(/C=C\c3ccc(OC)c(COc4ccccc4)c3)o2)cc1
InChIInChI=1S/C26H24N2O4/c1-29-22-12-8-20(9-13-22)17-26-28-27-25(32-26)15-11-19-10-14-24(30-2)21(16-19)18-31-23-6-4-3-5-7-23/h3-16H,17-18H2,1-2H3/b15-11-
InChIKeyHLNKPXVNJPSBOS-PTNGSMBKSA-N
XLogP5.43
TPSA66.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.49
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-5-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-1,3,4-oxadiazole
CID 19542447
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 19542453
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-1,3,4-oxadiazole
CID 19542401
2-(1,3-benzodioxol-5-yl)-5-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-1,3,4-oxadiazole
CID 19542407
2-[(Z)-2-[3-[(4-bromophenoxy)methyl]-4-methoxyphenyl]ethenyl]-5-[4-(difluoromethoxy)-3-methoxyphenyl]-1,3,4-oxadiazole
CID 19542406
2-[(4-bromophenyl)methyl]-5-[2-(2-methoxyphenyl)ethenyl]-1,3,4-oxadiazole
CID 142316002
(E)-3-[4-methoxy-3-[(4-phenylphenoxy)methyl]phenyl]-1-thiophen-2-ylprop-2-en-1-one
CID 19544757
3-[4-[(5-formyl-2-methoxyphenyl)methoxy]phenyl]propanoic acid
CID 4195976
3-[3-[(4-chlorophenoxy)methyl]-4-methoxyphenyl]-1-phenylprop-2-en-1-one
CID 2887573
1-methoxy-4-[2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-2-phenylmethoxybenzene
CID 54382192
1-methoxy-3-[(E)-2-(4-methoxy-3-phenylmethoxyphenyl)ethenyl]-5-phenylmethoxybenzene
CID 141466658
2-[(4-methoxyphenyl)methyl]-5-(3-phenylprop-2-ynylsulfanyl)-1,3,4-oxadiazole
CID 134065469

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole (CID 19542455) is 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole is COc1ccc(Cc2nnc(/C=C\c3ccc(OC)c(COc4ccccc4)c3)o2)cc1.
What is the InChIKey of 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
The InChIKey is HLNKPXVNJPSBOS-PTNGSMBKSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-29-22-12-8-20(9-13-22)17-26-28-27-25(32-26)15-11-19-10-14-24(30-2)21(16-19)18-31-23-6-4-3-5-7-23/h3-16H,17-18H2,1-2H3/b15-11-.
What are the key properties of 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole?
2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole has a molecular weight of 428.49 g/mol, XLogP of 5.43, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[4-methoxy-3-(phenoxymethyl)phenyl]ethenyl]-5-[(4-methoxyphenyl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 19542455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).