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

C99H86F5N11O7 — CID 160578625

About 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone (PubChem CID 160578625) has the molecular formula C99H86F5N11O7 and a molecular weight of 1636.84 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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone
• PubChem CID: 160578625
• Molecular Formula: C99H86F5N11O7
• Molecular Weight: 1636.84 g/mol
• Exact Mass: 1635.66
• 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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-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)c3ccncc3F)cc2)CN(c2ccccn2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nc3ccccc3o2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2ncco2)CC1
• InChI: InChI=1S/C27H22F2N2O2.C26H22FN3O2.C24H22FN3O.C22H20FN3O2/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;1-17-11-13-30(26-29-23-4-2-3-5-25(23)32-26)16-21(17)19-8-6-18(7-9-19)14-24(31)20-10-12-28-15-22(20)27;1-17-10-13-28(24-4-2-3-11-27-24)16-21(17)19-7-5-18(6-8-19)14-23(29)20-9-12-26-15-22(20)25;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/h2-12H,13-16H2,1H3;2-10,12,15H,11,13-14,16H2,1H3;2-9,11-12,15H,10,13-14,16H2,1H3;2-6,8-9,11,13H,7,10,12,14H2,1H3
• InChIKey: RBMCNLUTDYGZLI-UHFFFAOYSA-N
• XLogP: 20.73
• TPSA: 210.89 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1636.84
LogP ≤ 5	20.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone (CID 160578625) is 2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(2,6-difluorophenyl)ethanone;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-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)c3ccncc3F)cc2)CN(c2ccccn2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2nc3ccccc3o2)CC1.CC1=C(c2ccc(CC(=O)c3ccncc3F)cc2)CN(c2ncco2)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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone?

The InChIKey is RBMCNLUTDYGZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N2O2.C26H22FN3O2.C24H22FN3O.C22H20FN3O2/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;1-17-11-13-30(26-29-23-4-2-3-5-25(23)32-26)16-21(17)19-8-6-18(7-9-19)14-24(31)20-10-12-28-15-22(20)27;1-17-10-13-28(24-4-2-3-11-27-24)16-21(17)19-7-5-18(6-8-19)14-23(29)20-9-12-26-15-22(20)25;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/h2-12H,13-16H2,1H3;2-10,12,15H,11,13-14,16H2,1H3;2-9,11-12,15H,10,13-14,16H2,1H3;2-6,8-9,11,13H,7,10,12,14H2,1H3.

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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone has a molecular weight of 1636.84 g/mol, XLogP of 20.73, 20 rotatable bonds, 0 hydrogen bond donors, and 18 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;2-[4-[1-(1,3-benzoxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-1-(3-fluoro-4-pyridinyl)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-pyridin-2-yl-3,6-dihydro-2H-pyridin-5-yl)phenyl]ethanone is sourced from PubChem (CID 160578625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).