1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone

C25H24F2N2O2 — CID 58110492

IUPAC1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)c(C)o2)CC1
InChIInChI=1S/C25H24F2N2O2/c1-15-11-12-29(25-28-16(2)17(3)31-25)14-20(15)19-9-7-18(8-10-19)13-23(30)24-21(26)5-4-6-22(24)27/h4-10H,11-14H2,1-3H3
InChIKeyUITLELBQDASSDA-UHFFFAOYSA-N
MW422.48 g/mol
LogP5.68
Rot. Bonds5

About 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone

1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (PubChem CID 58110492) has the molecular formula C25H24F2N2O2 and a molecular weight of 422.48 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
PubChem CID58110492
Molecular FormulaC25H24F2N2O2
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)c(C)o2)CC1
InChIInChI=1S/C25H24F2N2O2/c1-15-11-12-29(25-28-16(2)17(3)31-25)14-20(15)19-9-7-18(8-10-19)13-23(30)24-21(26)5-4-6-22(24)27/h4-10H,11-14H2,1-3H3
InChIKeyUITLELBQDASSDA-UHFFFAOYSA-N
XLogP5.68
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.48
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Dibenzyl-2-pyrrolidin-1-yl-1,3-oxazole
CID 12354338
2,6-difluoro-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 24831593
1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110496
2-[4-[4-[2-(2-Fluorophenyl)acetyl]phenyl]phenyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428567
2-[4-[4-[2-(2-Methylphenyl)acetyl]phenyl]phenyl]-1-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone
CID 58428596
1-[4-[4-[2-[2-(3-Methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]phenyl]-2-phenylethanone
CID 58428604
Methyl 2-[4-[4-[2-[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazol-5-yl]-2-oxoethyl]phenyl]cyclohexyl]acetate
CID 58428863
N-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]-2,6-difluorobenzamide
CID 59517966
4-(2,5-difluorobenzoyl)-N-(4,5-dimethyl-1,3-oxazol-2-yl)piperidine-1-carboxamide
CID 48781654
5-Methyl-2-(3-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 144000752
5-Methyl-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole
CID 144000789
2-[3-(3-Fluorophenyl)piperidin-1-yl]-5-methyl-4-(trifluoromethyl)-1,3-oxazole
CID 144000816

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (CID 58110492) is 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)c(C)o2)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?
The InChIKey is UITLELBQDASSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N2O2/c1-15-11-12-29(25-28-16(2)17(3)31-25)14-20(15)19-9-7-18(8-10-19)13-23(30)24-21(26)5-4-6-22(24)27/h4-10H,11-14H2,1-3H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?
1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone has a molecular weight of 422.48 g/mol, XLogP of 5.68, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-2-[4-[1-(4,5-dimethyl-1,3-oxazol-2-yl)-4-methyl-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 58110492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).