methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

C18H15ClN2O5 — CID 55578098

IUPACmethyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2noc(-c3ccc(OC)cc3)n2)c(Cl)c1
InChIInChI=1S/C18H15ClN2O5/c1-23-13-6-3-11(4-7-13)17-20-16(21-26-17)10-25-15-8-5-12(9-14(15)19)18(22)24-2/h3-9H,10H2,1-2H3
InChIKeyWUARAZZDMZORRN-UHFFFAOYSA-N
MW374.78 g/mol
LogP3.76
Rot. Bonds6

About methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate (PubChem CID 55578098) has the molecular formula C18H15ClN2O5 and a molecular weight of 374.78 g/mol. Its IUPAC name is methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
PubChem CID55578098
Molecular FormulaC18H15ClN2O5
Molecular Weight374.78 g/mol
Exact Mass374.07
IUPAC Namemethyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2noc(-c3ccc(OC)cc3)n2)c(Cl)c1
InChIInChI=1S/C18H15ClN2O5/c1-23-13-6-3-11(4-7-13)17-20-16(21-26-17)10-25-15-8-5-12(9-14(15)19)18(22)24-2/h3-9H,10H2,1-2H3
InChIKeyWUARAZZDMZORRN-UHFFFAOYSA-N
XLogP3.76
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.78
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate with MolForge

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Related Compounds

methyl 4-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 38901917
methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate
CID 55376476
methyl 3-chloro-4-[2-(4-methoxyphenoxy)ethoxy]benzoate
CID 112772161
[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl 4-methyl-3-sulfamoylbenzoate
CID 55568642
3-[(2,4-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878790
5-(4-chlorophenyl)-3-[(4-methoxy-2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 35499288
1-[3-methoxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]ethanone
CID 86992137
3-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]-N-hydroxy-4-methoxybenzamide
CID 155535519
tert-butyl 2-[[3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]morpholine-4-carboxylate
CID 67073372
methyl 4-[[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]methoxy]-3-nitrobenzoate
CID 39534520
3-[(3,5-dimethylphenoxy)methyl]-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 78878775
3-methoxy-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzonitrile
CID 31434194

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The IUPAC name of methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate (CID 55578098) is methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2noc(-c3ccc(OC)cc3)n2)c(Cl)c1.
What is the InChIKey of methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The InChIKey is WUARAZZDMZORRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O5/c1-23-13-6-3-11(4-7-13)17-20-16(21-26-17)10-25-15-8-5-12(9-14(15)19)18(22)24-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate has a molecular weight of 374.78 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-4-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate is sourced from PubChem (CID 55578098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).