5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole

C19H20N2O2 — CID 2258378

IUPAC5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2ccc(-c3noc(CC)n3)cc2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-13-22-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-20-18(4-2)23-21-19/h5-12H,3-4,13H2,1-2H3
InChIKeyKIDNZWCWEXJSCA-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.75
Rot. Bonds6

About 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole

5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole (PubChem CID 2258378) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
PubChem CID2258378
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole
SMILESCCCOc1ccc(-c2ccc(-c3noc(CC)n3)cc2)cc1
InChIInChI=1S/C19H20N2O2/c1-3-13-22-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-20-18(4-2)23-21-19/h5-12H,3-4,13H2,1-2H3
InChIKeyKIDNZWCWEXJSCA-UHFFFAOYSA-N
XLogP4.75
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole (CID 2258378) is 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole is CCCOc1ccc(-c2ccc(-c3noc(CC)n3)cc2)cc1.
What is the InChIKey of 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole?
The InChIKey is KIDNZWCWEXJSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-3-13-22-17-11-9-15(10-12-17)14-5-7-16(8-6-14)19-20-18(4-2)23-21-19/h5-12H,3-4,13H2,1-2H3.
What are the key properties of 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole?
5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 308.38 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[4-(4-propoxyphenyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 2258378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).