bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine

C163H270F3N21O8S — CID 165031225

About bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine

bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine (PubChem CID 165031225) has the molecular formula C163H270F3N21O8S and a molecular weight of 2741.15 g/mol. Its IUPAC name is bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine.

Molecular Properties

• Compound Name: bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine
• PubChem CID: 165031225
• Molecular Formula: C163H270F3N21O8S
• Molecular Weight: 2741.15 g/mol
• Exact Mass: 2739.10
• IUPAC Name: bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine
• SMILES: CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C.CC(C)(C)C1CCOCC1.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.CC(C)(C)[C@H]1CCCN(CC(F)(F)F)C1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1[N+](=O)[O-].CC(C)(C)c1nc(C2CC2)no1.CC(C)(C)c1nc(C2CC2)no1.CC(C)(C)c1ncccc1C1CC1.CC(C)(C)c1nccs1.CC1(C)CCN(C(C)(C)C)C1=O.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1.Cc1nn(C)c(C)c1C(C)(C)C.Cn1nccc1C(C)(C)C.c1ccncc1
• InChI: InChI=1S/C12H17N.C11H20F3N.C11H21NO.C10H18N2.C10H19NO.3C10H15N.C9H12N2O2.2C9H14N2O.C9H17NO.C9H13N.C9H18O.C8H14N2.C7H11NS.C5H5N.C5H12/c1-12(2,3)11-10(9-6-7-9)5-4-8-13-11;1-10(2,3)9-5-4-6-15(7-9)8-11(12,13)14;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-7-9(10(3,4)5)8(2)12(6)11-7;1-9(2,3)11-7-6-10(4,5)8(11)12;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-5-4-6-10-8(7)11(12)13;2*1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-5-6-9-10(7)4;1-7(2,3)6-8-4-5-9-6;1-2-4-6-5-3-1;1-5(2,3)4/h4-5,8-9H,6-7H2,1-3H3;9H,4-8H2,1-3H3;10H,5-8H2,1-4H3;1-6H3;6-7H2,1-5H3;3*5-7H,1-4H3;4-6H,1-3H3;2*6H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;5-6H,1-4H3;4-5H,1-3H3;1-5H;1-4H3/t;9-;;;;;;;;;;7-,8-;;;;;;/m.0.........1....../s1
• InChIKey: MRLAZVZFAQJGST-QULVVJSGSA-N
• XLogP: 41.46
• TPSA: 325.30 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 5
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2741.15
LogP ≤ 5	41.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine?

The IUPAC name of bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine (CID 165031225) is bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine.

What is the SMILES notation for bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine?

The canonical SMILES for bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine is CC(=O)N1CCC(C(C)(C)C)CC1.CC(C)(C)C.CC(C)(C)C1CCOCC1.CC(C)(C)N1C[C@H]2C[C@@H]1CO2.CC(C)(C)[C@H]1CCCN(CC(F)(F)F)C1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1[N+](=O)[O-].CC(C)(C)c1nc(C2CC2)no1.CC(C)(C)c1nc(C2CC2)no1.CC(C)(C)c1ncccc1C1CC1.CC(C)(C)c1nccs1.CC1(C)CCN(C(C)(C)C)C1=O.Cc1cccc(C(C)(C)C)n1.Cc1cccnc1C(C)(C)C.Cc1ccnc(C(C)(C)C)c1.Cc1nn(C)c(C)c1C(C)(C)C.Cn1nccc1C(C)(C)C.c1ccncc1.

What is the InChIKey of bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine?

The InChIKey is MRLAZVZFAQJGST-QULVVJSGSA-N. The full InChI is InChI=1S/C12H17N.C11H20F3N.C11H21NO.C10H18N2.C10H19NO.3C10H15N.C9H12N2O2.2C9H14N2O.C9H17NO.C9H13N.C9H18O.C8H14N2.C7H11NS.C5H5N.C5H12/c1-12(2,3)11-10(9-6-7-9)5-4-8-13-11;1-10(2,3)9-5-4-6-15(7-9)8-11(12,13)14;1-9(13)12-7-5-10(6-8-12)11(2,3)4;1-7-9(10(3,4)5)8(2)12(6)11-7;1-9(2,3)11-7-6-10(4,5)8(11)12;1-8-5-6-11-9(7-8)10(2,3)4;1-8-6-5-7-11-9(8)10(2,3)4;1-8-6-5-7-9(11-8)10(2,3)4;1-9(2,3)7-5-4-6-10-8(7)11(12)13;2*1-9(2,3)8-10-7(11-12-8)6-4-5-6;1-9(2,3)10-5-8-4-7(10)6-11-8;1-9(2,3)8-6-4-5-7-10-8;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)7-5-6-9-10(7)4;1-7(2,3)6-8-4-5-9-6;1-2-4-6-5-3-1;1-5(2,3)4/h4-5,8-9H,6-7H2,1-3H3;9H,4-8H2,1-3H3;10H,5-8H2,1-4H3;1-6H3;6-7H2,1-5H3;3*5-7H,1-4H3;4-6H,1-3H3;2*6H,4-5H2,1-3H3;7-8H,4-6H2,1-3H3;4-7H,1-3H3;8H,4-7H2,1-3H3;5-6H,1-4H3;4-5H,1-3H3;1-5H;1-4H3/t;9-;;;;;;;;;;7-,8-;;;;;;/m.0.........1....../s1.

What are the key properties of bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine?

bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine has a molecular weight of 2741.15 g/mol, XLogP of 41.46, 5 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-tert-butyl-3-cyclopropyl-1,2,4-oxadiazole);2-tert-butyl-3-cyclopropylpyridine;1-tert-butyl-3,3-dimethylpyrrolidin-2-one;5-tert-butyl-1-methylpyrazole;2-tert-butyl-3-methylpyridine;2-tert-butyl-4-methylpyridine;2-tert-butyl-6-methylpyridine;3-tert-butyl-2-nitropyridine;(1R,4R)-5-tert-butyl-2-oxa-5-azabicyclo[2.2.1]heptane;4-tert-butyloxane;1-(4-tert-butylpiperidin-1-yl)ethanone;2-tert-butylpyridine;2-tert-butyl-1,3-thiazole;(3R)-3-tert-butyl-1-(2,2,2-trifluoroethyl)piperidine;4-tert-butyl-1,3,5-trimethylpyrazole;2,2-dimethylpropane;pyridine is sourced from PubChem (CID 165031225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).