2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole

C20H20N2O — CID 74660783

IUPAC2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(C=Cc3ccccc3)o2)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)17-12-10-16(11-13-17)19-22-21-18(23-19)14-9-15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKeyZFQRWQFLDHQXNS-UHFFFAOYSA-N
MW304.39 g/mol
LogP5.20
Rot. Bonds3

About 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole (PubChem CID 74660783) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
PubChem CID74660783
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(C=Cc3ccccc3)o2)cc1
InChIInChI=1S/C20H20N2O/c1-20(2,3)17-12-10-16(11-13-17)19-22-21-18(23-19)14-9-15-7-5-4-6-8-15/h4-14H,1-3H3
InChIKeyZFQRWQFLDHQXNS-UHFFFAOYSA-N
XLogP5.20
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
2-(4-tert-butylphenyl)-5-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;2-[(Z)-2-phenylethenyl]benzo[e][1,3]benzoxazole
CID 157060082
2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3703705
2-methyl-5-[4-(2-phenylethenyl)phenyl]-1,3,4-oxadiazole
CID 59957450
4-(N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino)benzoic acid
CID 101098774
2-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 159427357
4-[(E)-2-[7'-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-9,9'-spirobi[fluorene]-2'-yl]ethenyl]-N,N-diphenylaniline
CID 101168890
2-[2-(4-tert-butylphenyl)ethenyl]-5-phenyl-1,3-benzoxazole
CID 4222558
2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 142929751
2-[3-[4-(4-tert-butylphenyl)phenyl]-4-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-(2-phenylphenyl)phenyl]phenyl]-5-phenyl-1,3,4-oxadiazole
CID 20801992
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
CID 160836587
[4-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]-N-[4-[(E)-2-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]ethenyl]phenyl]anilino]phenyl]methanol
CID 101084500

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole (CID 74660783) is 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(C=Cc3ccccc3)o2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
The InChIKey is ZFQRWQFLDHQXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-20(2,3)17-12-10-16(11-13-17)19-22-21-18(23-19)14-9-15-7-5-4-6-8-15/h4-14H,1-3H3.
What are the key properties of 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole?
2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole has a molecular weight of 304.39 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 74660783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).