[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate

C22H24N2O5 — CID 8522826

IUPAC[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)cc1
InChIInChI=1S/C22H24N2O5/c1-4-26-18-9-11-19(12-10-18)27-14-21(25)28-13-20-23-22(24-29-20)17-7-5-16(6-8-17)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyKPHYBFXATKHGDS-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.38
Rot. Bonds9

About [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate

[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate (PubChem CID 8522826) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate.

Molecular Properties

Compound Name[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate
PubChem CID8522826
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate
SMILESCCOc1ccc(OCC(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)cc1
InChIInChI=1S/C22H24N2O5/c1-4-26-18-9-11-19(12-10-18)27-14-21(25)28-13-20-23-22(24-29-20)17-7-5-16(6-8-17)15(2)3/h5-12,15H,4,13-14H2,1-3H3
InChIKeyKPHYBFXATKHGDS-UHFFFAOYSA-N
XLogP4.38
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate with MolForge

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Related Compounds

[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-cyanophenoxy)acetate
CID 8521349
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-propan-2-ylphenoxy)acetate
CID 8598526
[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-fluorophenoxy)acetate
CID 8601377
ethyl 2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]acetate
CID 79475467
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-methoxyphenyl)propanoate
CID 8534566
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8521648
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 29364003
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 39796930
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propanoate
CID 34775688
2-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]acetic acid
CID 61313489
N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 17358710
2-[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 19328743

Frequently Asked Questions

What is the IUPAC name of [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate?
The IUPAC name of [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate (CID 8522826) is [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate.
What is the SMILES notation for [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate?
The canonical SMILES for [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate is CCOc1ccc(OCC(=O)OCc2nc(-c3ccc(C(C)C)cc3)no2)cc1.
What is the InChIKey of [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate?
The InChIKey is KPHYBFXATKHGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-4-26-18-9-11-19(12-10-18)27-14-21(25)28-13-20-23-22(24-29-20)17-7-5-16(6-8-17)15(2)3/h5-12,15H,4,13-14H2,1-3H3.
What are the key properties of [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate?
[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate has a molecular weight of 396.44 g/mol, XLogP of 4.38, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-ethoxyphenoxy)acetate is sourced from PubChem (CID 8522826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).