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

C18H20N2O — CID 15257616

IUPAC4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
SMILESCC(C)(C)N1C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)20-16(14-10-6-4-7-11-14)19-21-17(20)15-12-8-5-9-13-15/h4-13,17H,1-3H3
InChIKeyWQASLSVIXOPDCK-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.18
Rot. Bonds2

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

4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole (PubChem CID 15257616) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
PubChem CID15257616
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole
SMILESCC(C)(C)N1C(c2ccccc2)=NOC1c1ccccc1
InChIInChI=1S/C18H20N2O/c1-18(2,3)20-16(14-10-6-4-7-11-14)19-21-17(20)15-12-8-5-9-13-15/h4-13,17H,1-3H3
InChIKeyWQASLSVIXOPDCK-UHFFFAOYSA-N
XLogP4.18
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole (CID 15257616) is 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole is CC(C)(C)N1C(c2ccccc2)=NOC1c1ccccc1.
What is the InChIKey of 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
The InChIKey is WQASLSVIXOPDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-18(2,3)20-16(14-10-6-4-7-11-14)19-21-17(20)15-12-8-5-9-13-15/h4-13,17H,1-3H3.
What are the key properties of 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole?
4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole has a molecular weight of 280.37 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3,5-diphenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 15257616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).