2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole

C117H139FN26O10 — CID 158423908

About 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole

2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole (PubChem CID 158423908) has the molecular formula C117H139FN26O10 and a molecular weight of 2088.57 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole
• PubChem CID: 158423908
• Molecular Formula: C117H139FN26O10
• Molecular Weight: 2088.57 g/mol
• Exact Mass: 2087.12
• IUPAC Name: 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1nnc(-c2ccccc2)o1.CC(C)(C)c1nnc(-c2ccccc2)o1.CC(C)(C)c1nnc(-c2ccccc2F)o1.CC(C)(C)c1nnc(-c2ccccn2)o1.CC(C)(C)c1nnc(-c2cccnc2)o1.CC(C)(C)c1nnc(-c2cnccn2)o1.CC(C)(C)c1nnc(-c2ncccn2)o1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1cccc(-c2nnc(C(C)(C)C)o2)c1
• InChI: InChI=1S/3C13H16N2O.C12H13FN2O.2C12H14N2O.2C11H13N3O.2C10H12N4O/c2*1-9-5-7-10(8-6-9)11-14-15-12(16-11)13(2,3)4;1-9-6-5-7-10(8-9)11-14-15-12(16-11)13(2,3)4;1-12(2,3)11-15-14-10(16-11)8-6-4-5-7-9(8)13;2*1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-11(2,3)10-14-13-9(15-10)8-5-4-6-12-7-8;1-11(2,3)10-14-13-9(15-10)8-6-4-5-7-12-8;1-10(2,3)9-14-13-8(15-9)7-6-11-4-5-12-7;1-10(2,3)9-14-13-8(15-9)7-11-5-4-6-12-7/h3*5-8H,1-4H3;4-7H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3
• InChIKey: HAUXFMWEHZFDRN-UHFFFAOYSA-N
• XLogP: 27.78
• TPSA: 466.54 Ų
• H-Bond Acceptors: 36
• Rotatable Bonds: 10
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.57
LogP ≤ 5	27.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole?

The IUPAC name of 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole (CID 158423908) is 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole.

What is the SMILES notation for 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole?

The canonical SMILES for 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole is CC(C)(C)c1nnc(-c2ccccc2)o1.CC(C)(C)c1nnc(-c2ccccc2)o1.CC(C)(C)c1nnc(-c2ccccc2F)o1.CC(C)(C)c1nnc(-c2ccccn2)o1.CC(C)(C)c1nnc(-c2cccnc2)o1.CC(C)(C)c1nnc(-c2cnccn2)o1.CC(C)(C)c1nnc(-c2ncccn2)o1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1cccc(-c2nnc(C(C)(C)C)o2)c1.

What is the InChIKey of 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole?

The InChIKey is HAUXFMWEHZFDRN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C13H16N2O.C12H13FN2O.2C12H14N2O.2C11H13N3O.2C10H12N4O/c2*1-9-5-7-10(8-6-9)11-14-15-12(16-11)13(2,3)4;1-9-6-5-7-10(8-9)11-14-15-12(16-11)13(2,3)4;1-12(2,3)11-15-14-10(16-11)8-6-4-5-7-9(8)13;2*1-12(2,3)11-14-13-10(15-11)9-7-5-4-6-8-9;1-11(2,3)10-14-13-9(15-10)8-5-4-6-12-7-8;1-11(2,3)10-14-13-9(15-10)8-6-4-5-7-12-8;1-10(2,3)9-14-13-8(15-9)7-6-11-4-5-12-7;1-10(2,3)9-14-13-8(15-9)7-11-5-4-6-12-7/h3*5-8H,1-4H3;4-7H,1-3H3;2*4-8H,1-3H3;2*4-7H,1-3H3;2*4-6H,1-3H3.

What are the key properties of 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole?

2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole has a molecular weight of 2088.57 g/mol, XLogP of 27.78, 10 rotatable bonds, 0 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(2-tert-butyl-5-phenyl-1,3,4-oxadiazole);2-tert-butyl-5-pyrazin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-2-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyridin-3-yl-1,3,4-oxadiazole;2-tert-butyl-5-pyrimidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 158423908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).