4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one

C25H20F3NO2 — CID 140982255

IUPAC4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H20F3NO2/c26-19-13-11-18(12-14-19)23(30)6-1-3-16-7-9-17(10-8-16)22-15-31-25(29-22)24-20(27)4-2-5-21(24)28/h2,4-5,7-14,22H,1,3,6,15H2
InChIKeyXURCUYZSTDYDSZ-UHFFFAOYSA-N
MW423.43 g/mol
LogP5.83
Rot. Bonds7

About 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one

4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one (PubChem CID 140982255) has the molecular formula C25H20F3NO2 and a molecular weight of 423.43 g/mol. Its IUPAC name is 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one.

Molecular Properties

Compound Name4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one
PubChem CID140982255
Molecular FormulaC25H20F3NO2
Molecular Weight423.43 g/mol
Exact Mass423.14
IUPAC Name4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one
SMILESO=C(CCCc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1)c1ccc(F)cc1
InChIInChI=1S/C25H20F3NO2/c26-19-13-11-18(12-14-19)23(30)6-1-3-16-7-9-17(10-8-16)22-15-31-25(29-22)24-20(27)4-2-5-21(24)28/h2,4-5,7-14,22H,1,3,6,15H2
InChIKeyXURCUYZSTDYDSZ-UHFFFAOYSA-N
XLogP5.83
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.43
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one 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

[(2E)-2-[2-(3-fluorophenyl)-4-phenyl-4H-1,3-oxazol-5-ylidene]-2-iodoethyl] 3-fluorobenzoate
CID 154711852
2-(2,6-Difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 9950228
4-[4-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]cyclohexan-1-one
CID 11760045
2-(2,6-Difluorophenyl)-4-(4-formylphenyl)oxazoline
CID 12056636
2-(2,6-difluorophenyl)-4-[4-[(E)-2-phenylethenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 12056637
2-(2,6-Difluorophenyl)-4-(4-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 15007837
2-(2,6-Difluorophenyl)-5-methyl-4-[4-(4-propan-2-ylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 18520156
2-(2,6-Difluorophenyl)-5-methyl-4-[4-(4-methylphenyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 18520167
2-(2,6-Difluorophenyl)-4-[4-(2-fluorophenyl)phenyl]-5-methyl-4,5-dihydro-1,3-oxazole
CID 18520179
2-(2,6-difluorophenyl)-4-[4-[(E)-2-(4-fluorophenyl)ethenyl]phenyl]-4,5-dihydro-1,3-oxazole
CID 19080131
4-[4-(4-Methylphenyl)phenyl]-2-(2,3,6-trifluorophenyl)-4,5-dihydro-1,3-oxazole
CID 53893647
1-[4-[2-(2,6-Difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]ethanone
CID 56975539

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one?
The IUPAC name of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one (CID 140982255) is 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one.
What is the SMILES notation for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one?
The canonical SMILES for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one is O=C(CCCc1ccc(C2COC(c3c(F)cccc3F)=N2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one?
The InChIKey is XURCUYZSTDYDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F3NO2/c26-19-13-11-18(12-14-19)23(30)6-1-3-16-7-9-17(10-8-16)22-15-31-25(29-22)24-20(27)4-2-5-21(24)28/h2,4-5,7-14,22H,1,3,6,15H2.
What are the key properties of 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one?
4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one has a molecular weight of 423.43 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(2,6-difluorophenyl)-4,5-dihydro-1,3-oxazol-4-yl]phenyl]-1-(4-fluorophenyl)butan-1-one is sourced from PubChem (CID 140982255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).