N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide

C25H22Cl2F3N3O4 — CID 123804618

IUPACN-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
SMILESCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C(=O)NC1CON(C2CCC2)C1=O
InChIInChI=1S/C25H22Cl2F3N3O4/c1-13-7-14(5-6-19(13)22(34)31-21-12-36-33(23(21)35)18-3-2-4-18)20-11-24(37-32-20,25(28,29)30)15-8-16(26)10-17(27)9-15/h5-11,18,21,32H,2-4,12H2,1H3,(H,31,34)
InChIKeyQFNOHYHEQZUPTO-UHFFFAOYSA-N
MW556.37 g/mol
LogP5.06
Rot. Bonds5

About N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide

N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide (PubChem CID 123804618) has the molecular formula C25H22Cl2F3N3O4 and a molecular weight of 556.37 g/mol. Its IUPAC name is N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
PubChem CID123804618
Molecular FormulaC25H22Cl2F3N3O4
Molecular Weight556.37 g/mol
Exact Mass555.09
IUPAC NameN-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
SMILESCc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C(=O)NC1CON(C2CCC2)C1=O
InChIInChI=1S/C25H22Cl2F3N3O4/c1-13-7-14(5-6-19(13)22(34)31-21-12-36-33(23(21)35)18-3-2-4-18)20-11-24(37-32-20,25(28,29)30)15-8-16(26)10-17(27)9-15/h5-11,18,21,32H,2-4,12H2,1H3,(H,31,34)
InChIKeyQFNOHYHEQZUPTO-UHFFFAOYSA-N
XLogP5.06
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.37
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(2-methyl-3-oxo-1,2-oxazolidin-4-yl)benzamide
CID 123629509
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2-ethyl-3-oxo-1,2-oxazolidin-4-yl)-2-methylbenzamide
CID 123746720
N-(5-chloro-2-pyridinyl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide
CID 90862528
1-[4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylphenyl]-3-methylbutan-1-one
CID 91453524
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
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-hydroxy-N',2-dimethylbenzenecarboximidamide
CID 91422167
4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methyl-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 91583660
5-(3,5-dichlorophenyl)-3-(3-iodo-4-methylphenyl)-5-(trifluoromethyl)-2H-1,2-oxazole
CID 91546984
4-[(3R)-3-(3,5-dichlorophenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-5-yl]-N-[(4R)-2-ethyl-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
CID 89253503
N-acetyl-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 91149497
N-[2-chloro-5-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]phenyl]acetamide
CID 123575198
4-[2-(3,5-dichlorophenyl)-2-(trifluoromethyl)-3H-furan-4-yl]-N-[(4S)-2-(2,2-difluoropropyl)-3-oxo-1,2-oxazolidin-4-yl]-2-methylbenzamide
CID 162235456

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide (CID 123804618) is N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide is Cc1cc(C2=CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2)ccc1C(=O)NC1CON(C2CCC2)C1=O.
What is the InChIKey of N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide?
The InChIKey is QFNOHYHEQZUPTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2F3N3O4/c1-13-7-14(5-6-19(13)22(34)31-21-12-36-33(23(21)35)18-3-2-4-18)20-11-24(37-32-20,25(28,29)30)15-8-16(26)10-17(27)9-15/h5-11,18,21,32H,2-4,12H2,1H3,(H,31,34).
What are the key properties of N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide?
N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide has a molecular weight of 556.37 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclobutyl-3-oxo-1,2-oxazolidin-4-yl)-4-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-2H-1,2-oxazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 123804618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).