bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole

C24H34N2O — CID 160836587

IUPACbis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
SMILESCC(C)(C)C.CC(C)(C)C.c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C14H10N2O.2C5H12/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;2*1-5(2,3)4/h1-10H;2*1-4H3
InChIKeySHMIHCLCKKQXFL-UHFFFAOYSA-N
MW366.55 g/mol
LogP7.51
Rot. Bonds2

About bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole

bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole (PubChem CID 160836587) has the molecular formula C24H34N2O and a molecular weight of 366.55 g/mol. Its IUPAC name is bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Namebis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
PubChem CID160836587
Molecular FormulaC24H34N2O
Molecular Weight366.55 g/mol
Exact Mass366.27
IUPAC Namebis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole
SMILESCC(C)(C)C.CC(C)(C)C.c1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C14H10N2O.2C5H12/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;2*1-5(2,3)4/h1-10H;2*1-4H3
InChIKeySHMIHCLCKKQXFL-UHFFFAOYSA-N
XLogP7.51
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.55
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;2-phenyl-5-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
CID 144770943
2-(2-tert-butylphenyl)-5-phenyl-1,3,4-oxadiazole
CID 150681431
2,5-bis[4-(2,3,4,5,6-pentakis-phenylphenyl)phenyl]-1,3,4-oxadiazole
CID 101440187
2-tert-butylsulfanyl-5-phenyl-1,3,4-oxadiazole
CID 166005373
CID 136857420
CID 136857420
2-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole
CID 159427357
2-[2,3-bis(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]-5-phenyl-1,3,4-oxadiazole
CID 102173738
2-phenyl-5-[4-(2-phenylethynyl)phenyl]-1,3,4-oxadiazole
CID 132584993
2-phenyl-5-(10-phenylanthracen-9-yl)-1,3,4-oxadiazole
CID 146763008
2-phenyl-5-[3,10,11-tris(5-phenyl-1,3,4-oxadiazol-2-yl)tetraphenylen-2-yl]-1,3,4-oxadiazole
CID 59855596
2-ethyl-5-phenyl-1,3,4-oxadiazole
CID 12520828
2-phenyl-5-[13-(5-phenyl-1,3,4-oxadiazol-2-yl)-6-tricyclo[9.3.1.14,8]hexadeca-1(15),4(16),5,7,11,13-hexaenyl]-1,3,4-oxadiazole
CID 102278029

Frequently Asked Questions

What is the IUPAC name of bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole?
The IUPAC name of bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole (CID 160836587) is bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole.
What is the SMILES notation for bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole?
The canonical SMILES for bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole is CC(C)(C)C.CC(C)(C)C.c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole?
The InChIKey is SHMIHCLCKKQXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O.2C5H12/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12;2*1-5(2,3)4/h1-10H;2*1-4H3.
What are the key properties of bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole?
bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole has a molecular weight of 366.55 g/mol, XLogP of 7.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,2-dimethylpropane);2,5-diphenyl-1,3,4-oxadiazole is sourced from PubChem (CID 160836587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).