3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole

C20H20N2O2 — CID 2810518

IUPAC3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1
InChIInChI=1S/C20H20N2O2/c1-20(2,3)16-7-4-13(5-8-16)18-21-19(24-22-18)15-6-9-17-14(12-15)10-11-23-17/h4-9,12H,10-11H2,1-3H3
InChIKeyBZBYTVLRORICHI-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.64
Rot. Bonds2

About 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole

3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole (PubChem CID 2810518) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
PubChem CID2810518
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1
InChIInChI=1S/C20H20N2O2/c1-20(2,3)16-7-4-13(5-8-16)18-21-19(24-22-18)15-6-9-17-14(12-15)10-11-23-17/h4-9,12H,10-11H2,1-3H3
InChIKeyBZBYTVLRORICHI-UHFFFAOYSA-N
XLogP4.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole (CID 2810518) is 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole is CC(C)(C)c1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
The InChIKey is BZBYTVLRORICHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-20(2,3)16-7-4-13(5-8-16)18-21-19(24-22-18)15-6-9-17-14(12-15)10-11-23-17/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole?
3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole has a molecular weight of 320.39 g/mol, XLogP of 4.64, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 2810518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).