2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole

C146H171F2N29O12 — CID 159165978

About 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole

2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 159165978) has the molecular formula C146H171F2N29O12 and a molecular weight of 2562.16 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole
• PubChem CID: 159165978
• Molecular Formula: C146H171F2N29O12
• Molecular Weight: 2562.16 g/mol
• Exact Mass: 2560.36
• IUPAC Name: 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole
• SMILES: CC(C)(C)c1nnc(-c2cccc(F)c2)o1.CC(C)(C)c1nnc(-c2ccccc2F)o1.CC(C)(C)c1nnc(-c2ccccn2)o1.CC(C)(C)c1nnc(-c2ccccn2)o1.CC(C)(C)c1nnc(-c2cccnc2)o1.CC(C)(C)c1nnc(-c2ccncc2)o1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1cccc(-c2nnc(C(C)(C)C)o2)c1.Cc1cccc(-c2nnc(C(C)(C)C)o2)c1.[C-]#[N+]c1cccc(-c2nnc(C(C)(C)C)o2)c1
• InChI: InChI=1S/C13H13N3O.5C13H16N2O.2C12H13FN2O.4C11H13N3O/c1-13(2,3)12-16-15-11(17-12)9-6-5-7-10(8-9)14-4;3*1-9-5-7-10(8-6-9)11-14-15-12(16-11)13(2,3)4;2*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)8-5-4-6-9(13)7-8;1-12(2,3)11-15-14-10(16-11)8-6-4-5-7-9(8)13;1-11(2,3)10-14-13-9(15-10)8-4-6-12-7-5-8;1-11(2,3)10-14-13-9(15-10)8-5-4-6-12-7-8;2*1-11(2,3)10-14-13-9(15-10)8-6-4-5-7-12-8/h5-8H,1-3H3;5*5-8H,1-4H3;2*4-7H,1-3H3;4*4-7H,1-3H3
• InChIKey: KLBPOAKTNXGGCG-UHFFFAOYSA-N
• XLogP: 36.36
• TPSA: 522.96 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 12
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2562.16
LogP ≤ 5	36.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole (CID 159165978) is 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-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-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole?

The canonical SMILES for 2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole is CC(C)(C)c1nnc(-c2cccc(F)c2)o1.CC(C)(C)c1nnc(-c2ccccc2F)o1.CC(C)(C)c1nnc(-c2ccccn2)o1.CC(C)(C)c1nnc(-c2ccccn2)o1.CC(C)(C)c1nnc(-c2cccnc2)o1.CC(C)(C)c1nnc(-c2ccncc2)o1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1ccc(-c2nnc(C(C)(C)C)o2)cc1.Cc1cccc(-c2nnc(C(C)(C)C)o2)c1.Cc1cccc(-c2nnc(C(C)(C)C)o2)c1.[C-]#[N+]c1cccc(-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-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole?

The InChIKey is KLBPOAKTNXGGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O.5C13H16N2O.2C12H13FN2O.4C11H13N3O/c1-13(2,3)12-16-15-11(17-12)9-6-5-7-10(8-9)14-4;3*1-9-5-7-10(8-6-9)11-14-15-12(16-11)13(2,3)4;2*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)8-5-4-6-9(13)7-8;1-12(2,3)11-15-14-10(16-11)8-6-4-5-7-9(8)13;1-11(2,3)10-14-13-9(15-10)8-4-6-12-7-5-8;1-11(2,3)10-14-13-9(15-10)8-5-4-6-12-7-8;2*1-11(2,3)10-14-13-9(15-10)8-6-4-5-7-12-8/h5-8H,1-3H3;5*5-8H,1-4H3;2*4-7H,1-3H3;4*4-7H,1-3H3.

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

2-tert-butyl-5-(2-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 2562.16 g/mol, XLogP of 36.36, 12 rotatable bonds, 0 hydrogen bond donors, and 40 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-fluorophenyl)-1,3,4-oxadiazole;2-tert-butyl-5-(3-isocyanophenyl)-1,3,4-oxadiazole;bis(2-tert-butyl-5-(3-methylphenyl)-1,3,4-oxadiazole);tris(2-tert-butyl-5-(4-methylphenyl)-1,3,4-oxadiazole);bis(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-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 159165978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).