[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate

C25H22N2O6 — CID 29364003

IUPAC[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
SMILESCOc1ccc(-c2noc(COC(=O)COc3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H22N2O6/c1-29-20-9-7-19(8-10-20)25-26-23(33-27-25)16-32-24(28)17-31-22-13-11-21(12-14-22)30-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3
InChIKeyFAMGEFPQBBCVLV-UHFFFAOYSA-N
MW446.46 g/mol
LogP4.45
Rot. Bonds10

About [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 29364003) has the molecular formula C25H22N2O6 and a molecular weight of 446.46 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID29364003
Molecular FormulaC25H22N2O6
Molecular Weight446.46 g/mol
Exact Mass446.15
IUPAC Name[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
SMILESCOc1ccc(-c2noc(COC(=O)COc3ccc(OCc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C25H22N2O6/c1-29-20-9-7-19(8-10-20)25-26-23(33-27-25)16-32-24(28)17-31-22-13-11-21(12-14-22)30-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3
InChIKeyFAMGEFPQBBCVLV-UHFFFAOYSA-N
XLogP4.45
TPSA92.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.46
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate with MolForge

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Related Compounds

[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenoxy)acetate
CID 40755686
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenoxy)acetate
CID 8601377
[3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008072
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-chlorophenyl)acetate
CID 39803357
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate
CID 8522826
benzyl N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]carbamate
CID 110323055
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(2,3-dihydro-1H-inden-5-yloxy)acetate
CID 7580840
[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 34740429
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl pyridine-2-carboxylate
CID 40734371
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8551423
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-cyanophenoxy)acetate
CID 8521349
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 39796930

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate (CID 29364003) is [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate is COc1ccc(-c2noc(COC(=O)COc3ccc(OCc4ccccc4)cc3)n2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is FAMGEFPQBBCVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O6/c1-29-20-9-7-19(8-10-20)25-26-23(33-27-25)16-32-24(28)17-31-22-13-11-21(12-14-22)30-15-18-5-3-2-4-6-18/h2-14H,15-17H2,1H3.
What are the key properties of [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate?
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 446.46 g/mol, XLogP of 4.45, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 29364003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).