1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one

C22H15ClF8N2O2 — CID 123989197

IUPAC1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CC(F)(c2ccc(C3=CC(c4cc(F)cc(Cl)c4)(C(F)(F)F)ON3)cc2)C1
InChIInChI=1S/C22H15ClF8N2O2/c23-15-5-14(6-16(24)7-15)20(22(29,30)31)8-17(32-35-20)12-1-3-13(4-2-12)19(25)10-33(11-19)18(34)9-21(26,27)28/h1-8,32H,9-11H2
InChIKeyUFWALLIUFBRLPM-UHFFFAOYSA-N
MW526.81 g/mol
LogP5.77
Rot. Bonds4

About 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one

1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 123989197) has the molecular formula C22H15ClF8N2O2 and a molecular weight of 526.81 g/mol. Its IUPAC name is 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one
PubChem CID123989197
Molecular FormulaC22H15ClF8N2O2
Molecular Weight526.81 g/mol
Exact Mass526.07
IUPAC Name1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CC(F)(c2ccc(C3=CC(c4cc(F)cc(Cl)c4)(C(F)(F)F)ON3)cc2)C1
InChIInChI=1S/C22H15ClF8N2O2/c23-15-5-14(6-16(24)7-15)20(22(29,30)31)8-17(32-35-20)12-1-3-13(4-2-12)19(25)10-33(11-19)18(34)9-21(26,27)28/h1-8,32H,9-11H2
InChIKeyUFWALLIUFBRLPM-UHFFFAOYSA-N
XLogP5.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.81
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-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

1-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 123503269
3,3,3-trifluoro-1-[3-fluoro-3-[5-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]-2-pyridinyl]azetidin-1-yl]propan-1-one
CID 123812634
1-[3-[4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 123343621
1-[3-[4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-methyl-1-oxopropane-2-sulfonamide
CID 123774623
1-[3-[4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-methyl-2-methylsulfanylpropan-1-one
CID 123515187
[3-[4-[5-(3,5-dichloro-4-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-(1,1-dioxothietan-3-yl)methanone
CID 123568235
[3-fluoro-3-[4-[5-(trifluoromethyl)-5-(3,4,5-trifluorophenyl)-2H-1,2-oxazol-3-yl]phenyl]azetidin-1-yl]-(thietan-3-yl)methanone
CID 123995564
3-(3-chloro-4-fluorophenyl)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91168948
N-[[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]methyl]cyclopropanecarboxamide
CID 91399879
[3-[4-[5-[4-chloro-3-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-cyclopropylmethanone
CID 123962163
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]benzamide
CID 91379496
N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]acetamide
CID 123575198

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one (CID 123989197) is 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)N1CC(F)(c2ccc(C3=CC(c4cc(F)cc(Cl)c4)(C(F)(F)F)ON3)cc2)C1.
What is the InChIKey of 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is UFWALLIUFBRLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF8N2O2/c23-15-5-14(6-16(24)7-15)20(22(29,30)31)8-17(32-35-20)12-1-3-13(4-2-12)19(25)10-33(11-19)18(34)9-21(26,27)28/h1-8,32H,9-11H2.
What are the key properties of 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one?
1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 526.81 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[5-(3-chloro-5-fluorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 123989197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).