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

C24H22F2N2O2 — CID 58110496

IUPAC1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)co2)CC1
InChIInChI=1S/C24H22F2N2O2/c1-15-10-11-28(24-27-16(2)14-30-24)13-19(15)18-8-6-17(7-9-18)12-22(29)23-20(25)4-3-5-21(23)26/h3-9,14H,10-13H2,1-2H3
InChIKeyDEKURXCVZWXDDS-UHFFFAOYSA-N
MW408.45 g/mol
LogP5.37
Rot. Bonds5

About 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

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 (PubChem CID 58110496) has the molecular formula C24H22F2N2O2 and a molecular weight of 408.45 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
PubChem CID58110496
Molecular FormulaC24H22F2N2O2
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name1-(2,6-difluorophenyl)-2-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
SMILESCC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)co2)CC1
InChIInChI=1S/C24H22F2N2O2/c1-15-10-11-28(24-27-16(2)14-30-24)13-19(15)18-8-6-17(7-9-18)12-22(29)23-20(25)4-3-5-21(23)26/h3-9,14H,10-13H2,1-2H3
InChIKeyDEKURXCVZWXDDS-UHFFFAOYSA-N
XLogP5.37
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.45
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Butyl-N-(4-methyl-1,3-oxazol-2-yl)-2-phenylacetamide
CID 12556859
N-Butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-(trifluoromethyl)benzamide
CID 21323663
N-Butyl-4-fluoro-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 21323670
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-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone
CID 58110489
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
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
2-fluoro-6-methyl-N-[4-[4-methyl-1-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]benzamide
CID 70310155
N'-[4-[1-(3-fluoro-4-phenylphenyl)ethyl]-1,3-oxazol-2-yl]morpholine-4-carboximidamide
CID 142073755
N-(4-Methyl-1,3-oxazol-2-yl)-N-(prop-2-en-1-yl)benzamide
CID 21323601
N-butyl-N-(4-methyl-1,3-oxazol-2-yl)benzamide
CID 21323634
N-Butyl-N-(4-methyl-1,3-oxazol-2-yl)-3-phenylpropanamide
CID 21323644

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1=C(c2ccc(CC(=O)c3c(F)cccc3F)cc2)CN(c2nc(C)co2)CC1.
What is the InChIKey of 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?
The InChIKey is DEKURXCVZWXDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F2N2O2/c1-15-10-11-28(24-27-16(2)14-30-24)13-19(15)18-8-6-17(7-9-18)12-22(29)23-20(25)4-3-5-21(23)26/h3-9,14H,10-13H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 408.45 g/mol, XLogP of 5.37, 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-(4-methyl-1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]ethanone is sourced from PubChem (CID 58110496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).