2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone

C113H103F5N18O7S2 — CID 158228139

About 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone

2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (PubChem CID 158228139) has the molecular formula C113H103F5N18O7S2 and a molecular weight of 1984.31 g/mol. Its IUPAC name is 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

Molecular Properties

• Compound Name: 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
• PubChem CID: 158228139
• Molecular Formula: C113H103F5N18O7S2
• Molecular Weight: 1984.31 g/mol
• Exact Mass: 1982.76
• IUPAC Name: 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
• SMILES: CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc3ccccc3o2)CC1.CC1=C(c2ccc(CC(=O)c3ccccc3C)cc2)CN(c2nccs2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2ncco2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nn[nH]n2)CC1.CC1=C(c2cnc(CC(=O)c3ccncc3F)cn2)CN(c2nccs2)CC1
• InChI: InChI=1S/C27H22F2N2O2.C24H24N2OS.C22H20FN3O2.C20H19FN6O.C20H18FN5OS/c1-17-13-14-31(27-30-23-7-2-3-8-25(23)33-27)16-20(17)19-11-9-18(10-12-19)15-24(32)26-21(28)5-4-6-22(26)29;1-17-5-3-4-6-21(17)23(27)15-19-7-9-20(10-8-19)22-16-26(13-11-18(22)2)24-25-12-14-28-24;1-15-7-10-26(22-25-9-11-28-22)14-19(15)17-4-2-16(3-5-17)12-21(27)18-6-8-24-13-20(18)23;1-13-7-9-27(20-23-25-26-24-20)12-17(13)15-4-2-14(3-5-15)10-19(28)16-6-8-22-11-18(16)21;1-13-3-6-26(20-23-5-7-28-20)12-16(13)18-11-24-14(9-25-18)8-19(27)15-2-4-22-10-17(15)21/h2-12H,13-16H2,1H3;3-10,12,14H,11,13,15-16H2,1-2H3;2-6,8-9,11,13H,7,10,12,14H2,1H3;2-6,8,11H,7,9-10,12H2,1H3,(H,23,24,25,26);2,4-5,7,9-11H,3,6,8,12H2,1H3
• InChIKey: GEBANAMQLXRJCA-UHFFFAOYSA-N
• XLogP: 22.51
• TPSA: 298.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.31
LogP ≤ 5	22.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The IUPAC name of 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (CID 158228139) is 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

What is the SMILES notation for 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The canonical SMILES for 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc3ccccc3o2)CC1.CC1=C(c2ccc(CC(=O)c3ccccc3C)cc2)CN(c2nccs2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2ncco2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nn[nH]n2)CC1.CC1=C(c2cnc(CC(=O)c3ccncc3F)cn2)CN(c2nccs2)CC1.

What is the InChIKey of 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

The InChIKey is GEBANAMQLXRJCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N2O2.C24H24N2OS.C22H20FN3O2.C20H19FN6O.C20H18FN5OS/c1-17-13-14-31(27-30-23-7-2-3-8-25(23)33-27)16-20(17)19-11-9-18(10-12-19)15-24(32)26-21(28)5-4-6-22(26)29;1-17-5-3-4-6-21(17)23(27)15-19-7-9-20(10-8-19)22-16-26(13-11-18(22)2)24-25-12-14-28-24;1-15-7-10-26(22-25-9-11-28-22)14-19(15)17-4-2-16(3-5-17)12-21(27)18-6-8-24-13-20(18)23;1-13-7-9-27(20-23-25-26-24-20)12-17(13)15-4-2-14(3-5-15)10-19(28)16-6-8-22-11-18(16)21;1-13-3-6-26(20-23-5-7-28-20)12-16(13)18-11-24-14(9-25-18)8-19(27)15-2-4-22-10-17(15)21/h2-12H,13-16H2,1H3;3-10,12,14H,11,13,15-16H2,1-2H3;2-6,8-9,11,13H,7,10,12,14H2,1H3;2-6,8,11H,7,9-10,12H2,1H3,(H,23,24,25,26);2,4-5,7,9-11H,3,6,8,12H2,1H3.

What are the key properties of 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?

2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone has a molecular weight of 1984.31 g/mol, XLogP of 22.51, 25 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(2H-tetrazol-5-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;1-(3-fluoro-4-pyridinyl)-2-[5-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]pyrazin-2-yl]ethanone;1-(2-methylphenyl)-2-[4-[4-methyl-1-(1,3-thiazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 158228139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).