2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine

C49H62BrF4N17O8 — CID 158943192

About 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine

2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine (PubChem CID 158943192) has the molecular formula C49H62BrF4N17O8 and a molecular weight of 1173.04 g/mol. Its IUPAC name is 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine.

Molecular Properties

• Compound Name: 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine
• PubChem CID: 158943192
• Molecular Formula: C49H62BrF4N17O8
• Molecular Weight: 1173.04 g/mol
• Exact Mass: 1171.41
• IUPAC Name: 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine
• SMILES: C.CCOC(=O)CCCCCCN(c1ccc(F)cn1)c1nc(C)no1.Cc1noc(N(CCCCCCC(=O)NO)c2ccc(F)cn2)n1.Cc1noc(N)n1.Cc1noc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1
• InChI: InChI=1S/C17H23FN4O3.C15H20FN5O3.C8H7FN4O.C5H3BrFN.C3H5N3O.CH4/c1-3-24-16(23)8-6-4-5-7-11-22(17-20-13(2)21-25-17)15-10-9-14(18)12-19-15;1-11-18-15(24-20-11)21(13-8-7-12(16)10-17-13)9-5-3-2-4-6-14(22)19-23;1-5-11-8(14-13-5)12-7-3-2-6(9)4-10-7;6-5-2-1-4(7)3-8-5;1-2-5-3(4)7-6-2;/h9-10,12H,3-8,11H2,1-2H3;7-8,10,23H,2-6,9H2,1H3,(H,19,22);2-4H,1H3,(H,10,11,12,13);1-3H;1H3,(H2,4,5,6);1H4
• InChIKey: JKMWIUWEHRNJGJ-UHFFFAOYSA-N
• XLogP: 10.31
• TPSA: 327.40 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.04
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine?

The IUPAC name of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine (CID 158943192) is 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine.

What is the SMILES notation for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine?

The canonical SMILES for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine is C.CCOC(=O)CCCCCCN(c1ccc(F)cn1)c1nc(C)no1.Cc1noc(N(CCCCCCC(=O)NO)c2ccc(F)cn2)n1.Cc1noc(N)n1.Cc1noc(Nc2ccc(F)cn2)n1.Fc1ccc(Br)nc1.

What is the InChIKey of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine?

The InChIKey is JKMWIUWEHRNJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O3.C15H20FN5O3.C8H7FN4O.C5H3BrFN.C3H5N3O.CH4/c1-3-24-16(23)8-6-4-5-7-11-22(17-20-13(2)21-25-17)15-10-9-14(18)12-19-15;1-11-18-15(24-20-11)21(13-8-7-12(16)10-17-13)9-5-3-2-4-6-14(22)19-23;1-5-11-8(14-13-5)12-7-3-2-6(9)4-10-7;6-5-2-1-4(7)3-8-5;1-2-5-3(4)7-6-2;/h9-10,12H,3-8,11H2,1-2H3;7-8,10,23H,2-6,9H2,1H3,(H,19,22);2-4H,1H3,(H,10,11,12,13);1-3H;1H3,(H2,4,5,6);1H4.

What are the key properties of 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine?

2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine has a molecular weight of 1173.04 g/mol, XLogP of 10.31, 21 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-5-fluoropyridine;ethyl 7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]heptanoate;N-(5-fluoro-2-pyridinyl)-3-methyl-1,2,4-oxadiazol-5-amine;7-[(5-fluoro-2-pyridinyl)-(3-methyl-1,2,4-oxadiazol-5-yl)amino]-N-hydroxyheptanamide;methane;3-methyl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 158943192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).