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

C23H20F2N2O2 — CID 58110489

IUPAC1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2ncco2)CC1
InChIInChI=1S/C23H20F2N2O2/c1-15-9-11-27(23-26-10-12-29-23)14-18(15)17-7-5-16(6-8-17)13-21(28)22-19(24)3-2-4-20(22)25/h2-8,10,12H,9,11,13-14H2,1H3
InChIKeyICGJKOUVVLEBLF-UHFFFAOYSA-N
MW394.42 g/mol
LogP5.06
Rot. Bonds5

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

1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (PubChem CID 58110489) has the molecular formula C23H20F2N2O2 and a molecular weight of 394.42 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
PubChem CID58110489
Molecular FormulaC23H20F2N2O2
Molecular Weight394.42 g/mol
Exact Mass394.15
IUPAC Name1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2ncco2)CC1
InChIInChI=1S/C23H20F2N2O2/c1-15-9-11-27(23-26-10-12-29-23)14-18(15)17-7-5-16(6-8-17)13-21(28)22-19(24)3-2-4-20(22)25/h2-8,10,12H,9,11,13-14H2,1H3
InChIKeyICGJKOUVVLEBLF-UHFFFAOYSA-N
XLogP5.06
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.42
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 24831434
2-(2-Amino-1,3-oxazol-3-ium-3-yl)-1-(2,4-difluorophenyl)ethanone
CID 57929949
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
1-(3-fluoro-4-pyridinyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110516
2-(2,4-difluorophenyl)-N-[rel-(3R,4S)-3-ethyl-1-(1,3-oxazol-2-yl)-4-piperidinyl]acetamide
CID 166615685
N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylacetamide
CID 90036613
N-nonyl-N-(1,3-oxazol-2-yl)-2-phenylpropanamide
CID 90036677
2,6-difluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide;hydrochloride
CID 90106925
N-methyl-4-[4-[methyl(propanoyl)amino]phenyl]-N-(1,3-oxazol-2-yl)benzamide
CID 153360814
CID 157254352
CID 157254352
1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone;5-[4-[2-(2,6-difluorophenyl)-2-oxoethyl]phenyl]-4-methyl-3,6-dihydro-2H-pyridine-1-carbonitrile;2,2-dimethoxyethanol
CID 158742650
2-Bromo-1-(4-fluorophenyl)ethanone;1-(4-fluorophenyl)-2-(2-imino-1,3-oxazol-3-yl)ethanone;1,3-oxazol-2-amine;hydrobromide
CID 159476493

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?
The IUPAC name of 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone (CID 58110489) is 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?
The canonical SMILES for 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2ncco2)CC1.
What is the InChIKey of 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?
The InChIKey is ICGJKOUVVLEBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N2O2/c1-15-9-11-27(23-26-10-12-29-23)14-18(15)17-7-5-16(6-8-17)13-21(28)22-19(24)3-2-4-20(22)25/h2-8,10,12H,9,11,13-14H2,1H3.
What are the key properties of 1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone?
1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone has a molecular weight of 394.42 g/mol, XLogP of 5.06, 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-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 58110489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).