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

C24H20N4O6 — CID 135962679

IUPAC5-[[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
SMILESCOCc1nc(/C=C/c2ccc(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)/b10-5+
InChIKeyLJTOVDITMZQHCL-BJMVGYQFSA-N
MW460.45 g/mol
LogP3.79
Rot. Bonds9

About 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

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 (PubChem CID 135962679) has the molecular formula C24H20N4O6 and a molecular weight of 460.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[[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
PubChem CID135962679
Molecular FormulaC24H20N4O6
Molecular Weight460.45 g/mol
Exact Mass460.14
IUPAC Name5-[[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
SMILESCOCc1nc(/C=C/c2ccc(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)/b10-5+
InChIKeyLJTOVDITMZQHCL-BJMVGYQFSA-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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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCc1nc(/C=C/c2ccc(OC)cc2)oc1COc1ccc(-c2noc(=O)[nH]2)c(C#N)c1.
What is the InChIKey of 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?
The InChIKey is LJTOVDITMZQHCL-BJMVGYQFSA-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)/b10-5+.
What are the key properties of 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?
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 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-[(E)-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 135962679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).