2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole

C22H26N2O — CID 71080848

IUPAC2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
SMILESCCC(C)(C)c1ccc(-c2nnc(-c3ccc(C(C)C)cc3)o2)cc1
InChIInChI=1S/C22H26N2O/c1-6-22(4,5)19-13-11-18(12-14-19)21-24-23-20(25-21)17-9-7-16(8-10-17)15(2)3/h7-15H,6H2,1-5H3
InChIKeySZTYDYOJOSDKOM-UHFFFAOYSA-N
MW334.46 g/mol
LogP6.21
Rot. Bonds5

About 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole

2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole (PubChem CID 71080848) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
PubChem CID71080848
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole
SMILESCCC(C)(C)c1ccc(-c2nnc(-c3ccc(C(C)C)cc3)o2)cc1
InChIInChI=1S/C22H26N2O/c1-6-22(4,5)19-13-11-18(12-14-19)21-24-23-20(25-21)17-9-7-16(8-10-17)15(2)3/h7-15H,6H2,1-5H3
InChIKeySZTYDYOJOSDKOM-UHFFFAOYSA-N
XLogP6.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-butan-2-ylphenyl)phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;methane
CID 157226539
2-(4-tert-butylphenyl)-5-[2,5-dibromo-4-[5-[4-(2-methylbutan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 71221239
1-[4-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenyl]ethanol
CID 20846901
4-[4-(N-[4-(2-methylbutan-2-yl)phenyl]anilino)phenyl]-N-phenyl-N-(4-propan-2-ylphenyl)aniline
CID 71095331
2-(4-propan-2-ylphenyl)-5-(trifluoromethyl)-1,3,4-oxadiazole
CID 138717926
2-[3,5-bis[5-(4-butan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-butan-2-ylphenyl)-1,3,4-oxadiazole
CID 59882736
N-methyl-1-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62138841
1-butan-2-yl-4-(2-methylbutan-2-yl)benzene
CID 54072029
1-[(1S)-1-iodoethyl]-4-(2-methylbutan-2-yl)benzene
CID 118596148
1-(1-chloroethyl)-4-(2-methylbutan-2-yl)benzene
CID 66259205
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
[4-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]phenyl] formate
CID 171457373

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole (CID 71080848) is 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole is CCC(C)(C)c1ccc(-c2nnc(-c3ccc(C(C)C)cc3)o2)cc1.
What is the InChIKey of 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole?
The InChIKey is SZTYDYOJOSDKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-6-22(4,5)19-13-11-18(12-14-19)21-24-23-20(25-21)17-9-7-16(8-10-17)15(2)3/h7-15H,6H2,1-5H3.
What are the key properties of 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole?
2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole has a molecular weight of 334.46 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylbutan-2-yl)phenyl]-5-(4-propan-2-ylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 71080848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).