5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile

C24H20N4O6 — CID 136646662

IUPAC5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile
SMILESCOCc1nc(C=Cc2ccc(OC)cc2)oc1COc1ccc(-c2noc(=O)[nH]2)c(C#N)c1
InChIInChI=1S/C24H20N4O6/c1-30-13-20-21(33-22(26-20)10-5-15-3-6-17(31-2)7-4-15)14-32-18-8-9-19(16(11-18)12-25)23-27-24(29)34-28-23/h3-11H,13-14H2,1-2H3,(H,27,28,29)
InChIKeyLJTOVDITMZQHCL-UHFFFAOYSA-N
MW460.45 g/mol
LogP3.79
Rot. Bonds9

About 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile

5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile (PubChem CID 136646662) has the molecular formula C24H20N4O6 and a molecular weight of 460.45 g/mol. Its IUPAC name is 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile.

Molecular Properties

Compound Name5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile
PubChem CID136646662
Molecular FormulaC24H20N4O6
Molecular Weight460.45 g/mol
Exact Mass460.14
IUPAC Name5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile
SMILESCOCc1nc(C=Cc2ccc(OC)cc2)oc1COc1ccc(-c2noc(=O)[nH]2)c(C#N)c1
InChIInChI=1S/C24H20N4O6/c1-30-13-20-21(33-22(26-20)10-5-15-3-6-17(31-2)7-4-15)14-32-18-8-9-19(16(11-18)12-25)23-27-24(29)34-28-23/h3-11H,13-14H2,1-2H3,(H,27,28,29)
InChIKeyLJTOVDITMZQHCL-UHFFFAOYSA-N
XLogP3.79
TPSA136.40 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.45
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile
CID 135962679
[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
CID 59594761
5-(chloromethyl)-4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole;methane;[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
CID 159858636
3-[2-chloro-4-[[4-methyl-2-(1-methylcyclohexyl)-1,3-oxazol-5-yl]methoxy]phenyl]-4H-1,2,4-oxadiazol-5-one
CID 135524127
6-[(E)-2-(4-methoxyphenyl)ethenyl]-4-oxopyran-2-carbonitrile
CID 162787652
5-[2-(4-methoxyphenyl)ethenyl]-3H-1,3,4-oxadiazole-2-thione
CID 141479180
5-methoxy-2-pyrimidin-2-ylbenzonitrile
CID 121010677
5-bromo-2-(2-bromo-5-methoxyphenyl)-4-(methoxymethyl)-1H-pyrimidin-6-one
CID 136774563
2-methoxy-6-[2-(4-methoxyphenyl)ethenyl]pyran-4-one
CID 85196120
N-[5-chloro-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-4-methoxybenzamide
CID 135895153
4-(methoxymethyl)-6-[(E)-2-(4-methoxyphenyl)ethenyl]-5-nitro-2-oxo-1H-pyridine-3-carbonitrile
CID 17017817
5-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 16647304

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile?
The IUPAC name of 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile (CID 136646662) is 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile.
What is the SMILES notation for 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile?
The canonical SMILES for 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile is COCc1nc(C=Cc2ccc(OC)cc2)oc1COc1ccc(-c2noc(=O)[nH]2)c(C#N)c1.
What is the InChIKey of 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile?
The InChIKey is LJTOVDITMZQHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O6/c1-30-13-20-21(33-22(26-20)10-5-15-3-6-17(31-2)7-4-15)14-32-18-8-9-19(16(11-18)12-25)23-27-24(29)34-28-23/h3-11H,13-14H2,1-2H3,(H,27,28,29).
What are the key properties of 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile?
5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile has a molecular weight of 460.45 g/mol, XLogP of 3.79, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(methoxymethyl)-2-[2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methoxy]-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzonitrile is sourced from PubChem (CID 136646662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).