2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole

C24H20N2O2 — CID 70332201

IUPAC2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)o1
InChIInChI=1S/C24H20N2O2/c1-24(2,3)23-26-25-22(28-23)16-13-11-15(12-14-16)17-8-6-9-19-18-7-4-5-10-20(18)27-21(17)19/h4-14H,1-3H3
InChIKeyCWMRNXKRAOCIHY-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.60
Rot. Bonds2

About 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole

2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole (PubChem CID 70332201) has the molecular formula C24H20N2O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole
PubChem CID70332201
Molecular FormulaC24H20N2O2
Molecular Weight368.44 g/mol
Exact Mass368.15
IUPAC Name2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1nnc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)o1
InChIInChI=1S/C24H20N2O2/c1-24(2,3)23-26-25-22(28-23)16-13-11-15(12-14-16)17-8-6-9-19-18-7-4-5-10-20(18)27-21(17)19/h4-14H,1-3H3
InChIKeyCWMRNXKRAOCIHY-UHFFFAOYSA-N
XLogP6.60
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 56.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 70332148
2-(4-dibenzofuran-4-ylphenyl)-5-(3-phenylphenyl)-1,3,4-oxadiazole
CID 70332203
4-(3-tert-butyl-5-dibenzofuran-4-ylphenyl)dibenzofuran
CID 170133663
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
4-(4-bromophenyl)dibenzofuran
CID 59022098
4-(4-propylphenyl)dibenzofuran
CID 156827246
4-(10-tert-butyl-7-dibenzofuran-4-yltriphenylen-2-yl)dibenzofuran
CID 144568505
2,5-bis[4-(6-methyldibenzofuran-4-yl)phenyl]-1,3,4-oxadiazole
CID 70332227
4-(4-dibenzofuran-4-ylphenyl)aniline
CID 58510844
N-tert-butyl-N-(4-dibenzofuran-4-ylphenyl)-4-phenylaniline
CID 122413267
2-tert-butyl-4-dibenzofuran-3-yl-6-dibenzofuran-4-yl-1,3,5-triazine
CID 176647215
4-[4-[4-(4-propan-2-ylphenyl)phenyl]phenyl]dibenzofuran
CID 67963999

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole (CID 70332201) is 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole is CC(C)(C)c1nnc(-c2ccc(-c3cccc4c3oc3ccccc34)cc2)o1.
What is the InChIKey of 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is CWMRNXKRAOCIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O2/c1-24(2,3)23-26-25-22(28-23)16-13-11-15(12-14-16)17-8-6-9-19-18-7-4-5-10-20(18)27-21(17)19/h4-14H,1-3H3.
What are the key properties of 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole?
2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole has a molecular weight of 368.44 g/mol, XLogP of 6.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(4-dibenzofuran-4-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 70332201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).