2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

C70H71BrF2N14O6 — CID 157380276

About 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen

2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (PubChem CID 157380276) has the molecular formula C70H71BrF2N14O6 and a molecular weight of 1322.33 g/mol. Its IUPAC name is 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

Molecular Properties

• Compound Name: 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• PubChem CID: 157380276
• Molecular Formula: C70H71BrF2N14O6
• Molecular Weight: 1322.33 g/mol
• Exact Mass: 1320.48
• IUPAC Name: 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen
• SMILES: C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4OCCNC(=O)OC(C)(C)C)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccccc2Br)nc1-c1nnc(-c2ccccc2)o1.Cc1ncc(-c2ccccc2C(C)(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H]
• InChI: InChI=1S/C30H34N6O4.C21H16F2N4O.C19H13BrN4O.4H2/c1-19-26(33-24(18-32-19)22-14-12-21(13-15-22)20(2)36(6)7)28-35-34-27(39-28)23-10-8-9-11-25(23)38-17-16-31-29(37)40-30(3,4)5;1-13-18(20-27-26-19(28-20)14-8-4-3-5-9-14)25-17(12-24-13)15-10-6-7-11-16(15)21(2,22)23;1-12-17(19-24-23-18(25-19)13-7-3-2-4-8-13)22-16(11-21-12)14-9-5-6-10-15(14)20;;;;/h8-15,18H,2,16-17H2,1,3-7H3,(H,31,37);3-12H,1-2H3;2-11H,1H3;4*1H
• InChIKey: BKUKDXTTZOWISK-UHFFFAOYSA-N
• XLogP: 16.80
• TPSA: 244.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 16
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1322.33
LogP ≤ 5	16.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The IUPAC name of 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen (CID 157380276) is 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen.

What is the SMILES notation for 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The canonical SMILES for 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is C=C(c1ccc(-c2cnc(C)c(-c3nnc(-c4ccccc4OCCNC(=O)OC(C)(C)C)o3)n2)cc1)N(C)C.Cc1ncc(-c2ccccc2Br)nc1-c1nnc(-c2ccccc2)o1.Cc1ncc(-c2ccccc2C(C)(F)F)nc1-c1nnc(-c2ccccc2)o1.[H][H].[H][H].[H][H].[H][H].

What is the InChIKey of 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

The InChIKey is BKUKDXTTZOWISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O4.C21H16F2N4O.C19H13BrN4O.4H2/c1-19-26(33-24(18-32-19)22-14-12-21(13-15-22)20(2)36(6)7)28-35-34-27(39-28)23-10-8-9-11-25(23)38-17-16-31-29(37)40-30(3,4)5;1-13-18(20-27-26-19(28-20)14-8-4-3-5-9-14)25-17(12-24-13)15-10-6-7-11-16(15)21(2,22)23;1-12-17(19-24-23-18(25-19)13-7-3-2-4-8-13)22-16(11-21-12)14-9-5-6-10-15(14)20;;;;/h8-15,18H,2,16-17H2,1,3-7H3,(H,31,37);3-12H,1-2H3;2-11H,1H3;4*1H.

What are the key properties of 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen?

2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen has a molecular weight of 1322.33 g/mol, XLogP of 16.80, 16 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(2-bromophenyl)-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;tert-butyl N-[2-[2-[5-[6-[4-[1-(dimethylamino)ethenyl]phenyl]-3-methylpyrazin-2-yl]-1,3,4-oxadiazol-2-yl]phenoxy]ethyl]carbamate;2-[6-[2-(1,1-difluoroethyl)phenyl]-3-methylpyrazin-2-yl]-5-phenyl-1,3,4-oxadiazole;molecular hydrogen is sourced from PubChem (CID 157380276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).