5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole

C18H20N2O — CID 10989625

IUPAC5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole
SMILESCCCCC1(c2ccccc2)N=C(c2ccccc2)NO1
InChIInChI=1S/C18H20N2O/c1-2-3-14-18(16-12-8-5-9-13-16)19-17(20-21-18)15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3,(H,19,20)
InChIKeyQBDMHROLWXRXSE-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.01
Rot. Bonds5

About 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole

5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole (PubChem CID 10989625) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole
PubChem CID10989625
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole
SMILESCCCCC1(c2ccccc2)N=C(c2ccccc2)NO1
InChIInChI=1S/C18H20N2O/c1-2-3-14-18(16-12-8-5-9-13-16)19-17(20-21-18)15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3,(H,19,20)
InChIKeyQBDMHROLWXRXSE-UHFFFAOYSA-N
XLogP4.01
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole?
The IUPAC name of 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole (CID 10989625) is 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole.
What is the SMILES notation for 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole?
The canonical SMILES for 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole is CCCCC1(c2ccccc2)N=C(c2ccccc2)NO1.
What is the InChIKey of 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole?
The InChIKey is QBDMHROLWXRXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-2-3-14-18(16-12-8-5-9-13-16)19-17(20-21-18)15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3,(H,19,20).
What are the key properties of 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole?
5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3,5-diphenyl-2H-1,2,4-oxadiazole is sourced from PubChem (CID 10989625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).