[3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate

C24H22Cl2F4N2O3 — CID 174732396

IUPAC[3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CC(F)(c2ccc(C3=NO[C@](c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1
InChIInChI=1S/C24H22Cl2F4N2O3/c1-21(2,3)20(33)34-32-12-22(27,13-32)15-6-4-14(5-7-15)19-11-23(35-31-19,24(28,29)30)16-8-17(25)10-18(26)9-16/h4-10H,11-13H2,1-3H3/t23-/m1/s1
InChIKeyYYQBDICXFJXQJY-HSZRJFAPSA-N
MW533.35 g/mol
LogP6.56
Rot. Bonds4

About [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate

[3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate (PubChem CID 174732396) has the molecular formula C24H22Cl2F4N2O3 and a molecular weight of 533.35 g/mol. Its IUPAC name is [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate
PubChem CID174732396
Molecular FormulaC24H22Cl2F4N2O3
Molecular Weight533.35 g/mol
Exact Mass532.09
IUPAC Name[3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)ON1CC(F)(c2ccc(C3=NO[C@](c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1
InChIInChI=1S/C24H22Cl2F4N2O3/c1-21(2,3)20(33)34-32-12-22(27,13-32)15-6-4-14(5-7-15)19-11-23(35-31-19,24(28,29)30)16-8-17(25)10-18(26)9-16/h4-10H,11-13H2,1-3H3/t23-/m1/s1
InChIKeyYYQBDICXFJXQJY-HSZRJFAPSA-N
XLogP6.56
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.35
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

1-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 57489434
1-cyclopropyl-2-[3-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]ethanone
CID 56651298
1-[3-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
CID 56650296
1-[3-fluoro-3-[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidin-1-yl]ethanone
CID 56650293
5-(3,5-dichloro-4-fluorophenyl)-3-[4-(3-fluoro-1-methylazetidin-3-yl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazole
CID 88582363
1-[3-[4-[5-[3,4-dichloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl]-2-hydroxy-2-methylpropan-1-one
CID 87127040
3-[4-[5-[3-chloro-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-N-cyclopropyl-3-fluoroazetidine-1-carboxamide
CID 56651990
ethane;methyl 4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-2-methylbenzoate
CID 143943224
1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]cyclopropane-1-sulfonic acid
CID 175393496
2-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-1,1,1-trifluoropropane-2-sulfonic acid
CID 175393506
[3-fluoro-3-[4-[5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidin-1-yl]-pyridin-4-ylmethanone
CID 56654061
[3-[4-[(5S)-5-(3,4,5-trichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]azetidin-3-yl] 2,2-dimethylpropanoate
CID 174732464

Frequently Asked Questions

What is the IUPAC name of [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate (CID 174732396) is [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)ON1CC(F)(c2ccc(C3=NO[C@](c4cc(Cl)cc(Cl)c4)(C(F)(F)F)C3)cc2)C1.
What is the InChIKey of [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is YYQBDICXFJXQJY-HSZRJFAPSA-N. The full InChI is InChI=1S/C24H22Cl2F4N2O3/c1-21(2,3)20(33)34-32-12-22(27,13-32)15-6-4-14(5-7-15)19-11-23(35-31-19,24(28,29)30)16-8-17(25)10-18(26)9-16/h4-10H,11-13H2,1-3H3/t23-/m1/s1.
What are the key properties of [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate?
[3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 533.35 g/mol, XLogP of 6.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(5R)-5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]phenyl]-3-fluoroazetidin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174732396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).