1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate

C22H24N2O4 — CID 43031824

IUPAC1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(-c2nnc(C(C)OC(=O)COc3ccccc3C(C)C)o2)cc1
InChIInChI=1S/C22H24N2O4/c1-14(2)18-7-5-6-8-19(18)26-13-20(25)27-16(4)21-23-24-22(28-21)17-11-9-15(3)10-12-17/h5-12,14,16H,13H2,1-4H3
InChIKeyNJNSWGICIYBYQV-UHFFFAOYSA-N
MW380.44 g/mol
LogP4.85
Rot. Bonds7

About 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate (PubChem CID 43031824) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate
PubChem CID43031824
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate
SMILESCc1ccc(-c2nnc(C(C)OC(=O)COc3ccccc3C(C)C)o2)cc1
InChIInChI=1S/C22H24N2O4/c1-14(2)18-7-5-6-8-19(18)26-13-20(25)27-16(4)21-23-24-22(28-21)17-11-9-15(3)10-12-17/h5-12,14,16H,13H2,1-4H3
InChIKeyNJNSWGICIYBYQV-UHFFFAOYSA-N
XLogP4.85
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(1-bromonaphthalen-2-yl)oxyacetate
CID 55392327
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 55389896
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-ethoxyphenoxy)acetate
CID 7628188
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(2,4-dimethylphenoxy)acetate
CID 9336180
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 7604545
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 55389999
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 9418213
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(4-cyanophenoxy)acetate
CID 7605153
[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-benzamidoacetate
CID 9412822
[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(2,4,6-trimethylphenoxy)acetate
CID 9405510
[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl] 2-(4-chloro-2-methylphenoxy)acetate
CID 9230887
1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(3-methyl-4-propan-2-ylphenoxy)acetate
CID 55392352

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate (CID 43031824) is 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate is Cc1ccc(-c2nnc(C(C)OC(=O)COc3ccccc3C(C)C)o2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate?
The InChIKey is NJNSWGICIYBYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-14(2)18-7-5-6-8-19(18)26-13-20(25)27-16(4)21-23-24-22(28-21)17-11-9-15(3)10-12-17/h5-12,14,16H,13H2,1-4H3.
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate?
1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate has a molecular weight of 380.44 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(2-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 43031824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).