1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol

C26H26N2O2 — CID 20846901

IUPAC1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1
InChIInChI=1S/C26H26N2O2/c1-17(29)18-5-7-19(8-6-18)20-9-11-21(12-10-20)24-27-28-25(30-24)22-13-15-23(16-14-22)26(2,3)4/h5-17,29H,1-4H3
InChIKeyYPQIDHWVZBYDSE-UHFFFAOYSA-N
MW398.51 g/mol
LogP6.42
Rot. Bonds4

About 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol

1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol (PubChem CID 20846901) has the molecular formula C26H26N2O2 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol.

Molecular Properties

Compound Name1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol
PubChem CID20846901
Molecular FormulaC26H26N2O2
Molecular Weight398.51 g/mol
Exact Mass398.20
IUPAC Name1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol
SMILESCC(O)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1
InChIInChI=1S/C26H26N2O2/c1-17(29)18-5-7-19(8-6-18)20-9-11-21(12-10-20)24-27-28-25(30-24)22-13-15-23(16-14-22)26(2,3)4/h5-17,29H,1-4H3
InChIKeyYPQIDHWVZBYDSE-UHFFFAOYSA-N
XLogP6.42
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane
CID 157226539
(1R)-1-(4-tert-butylphenyl)ethanol
CID 6990572
4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-N,N-bis[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]aniline
CID 102504984
2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
CID 71080848
2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]-5-iodophenyl]-1,3,4-oxadiazole
CID 11767205
2-(4-tert-butylphenyl)-5-[4-(3-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 58003971
3-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-[4-[5-[4-(2-iodopropan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 147669816
1-[4-(4-tert-butylphenyl)sulfanylphenyl]ethanol
CID 63814615
2-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 159427357
2-(4-tert-butylphenyl)-5-[2,6-ditert-butyl-10-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]anthracen-9-yl]-1,3,4-oxadiazole
CID 101493138
2-(4-tert-butylphenyl)-5-[4-(2-methylphenyl)phenyl]-1,3,4-oxadiazole
CID 142929751
2-(4-tert-butylphenyl)-5-[4-[4-(2-methoxybutyl)phenyl]phenyl]-1,3,4-oxadiazole
CID 59358176

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol?
The IUPAC name of 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol (CID 20846901) is 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol.
What is the SMILES notation for 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol?
The canonical SMILES for 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol is CC(O)c1ccc(-c2ccc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)cc2)cc1.
What is the InChIKey of 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol?
The InChIKey is YPQIDHWVZBYDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2/c1-17(29)18-5-7-19(8-6-18)20-9-11-21(12-10-20)24-27-28-25(30-24)22-13-15-23(16-14-22)26(2,3)4/h5-17,29H,1-4H3.
What are the key properties of 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol?
1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol has a molecular weight of 398.51 g/mol, XLogP of 6.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol is sourced from PubChem (CID 20846901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).