tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate

C23H24Cl2F3NO3 — CID 66664799

IUPACtert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate
SMILESCc1cc(C2CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1C(=O)OC(C)(C)C
InChIInChI=1S/C23H24Cl2F3NO3/c1-13-8-14(6-7-18(13)20(30)31-21(2,3)4)19-12-22(23(26,27)28,32-29(19)5)15-9-16(24)11-17(25)10-15/h6-11,19H,12H2,1-5H3
InChIKeyGGIKLRFETONNAG-UHFFFAOYSA-N
MW490.35 g/mol
LogP7.02
Rot. Bonds3

About tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate

tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate (PubChem CID 66664799) has the molecular formula C23H24Cl2F3NO3 and a molecular weight of 490.35 g/mol. Its IUPAC name is tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate.

Molecular Properties

Compound Nametert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate
PubChem CID66664799
Molecular FormulaC23H24Cl2F3NO3
Molecular Weight490.35 g/mol
Exact Mass489.11
IUPAC Nametert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate
SMILESCc1cc(C2CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1C(=O)OC(C)(C)C
InChIInChI=1S/C23H24Cl2F3NO3/c1-13-8-14(6-7-18(13)20(30)31-21(2,3)4)19-12-22(23(26,27)28,32-29(19)5)15-9-16(24)11-17(25)10-15/h6-11,19H,12H2,1-5H3
InChIKeyGGIKLRFETONNAG-UHFFFAOYSA-N
XLogP7.02
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.35
LogP ≤ 57.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate?
The IUPAC name of tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate (CID 66664799) is tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate.
What is the SMILES notation for tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate?
The canonical SMILES for tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate is Cc1cc(C2CC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)ON2C)ccc1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate?
The InChIKey is GGIKLRFETONNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2F3NO3/c1-13-8-14(6-7-18(13)20(30)31-21(2,3)4)19-12-22(23(26,27)28,32-29(19)5)15-9-16(24)11-17(25)10-15/h6-11,19H,12H2,1-5H3.
What are the key properties of tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate?
tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate has a molecular weight of 490.35 g/mol, XLogP of 7.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-(3,5-dichlorophenyl)-2-methyl-5-(trifluoromethyl)-1,2-oxazolidin-3-yl]-2-methylbenzoate is sourced from PubChem (CID 66664799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).