[(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate

C18H28F3NO4 — CID 22884800

IUPAC[(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C1CC[C@@H](C)CC1OC(=O)N1C(=O)O[C@@H](C(F)(F)F)[C@@H]1C(C)C
InChIInChI=1S/C18H28F3NO4/c1-9(2)12-7-6-11(5)8-13(12)25-16(23)22-14(10(3)4)15(18(19,20)21)26-17(22)24/h9-15H,6-8H2,1-5H3/t11-,12?,13?,14+,15-/m1/s1
InChIKeyUCZKCLHDZFVQAT-NNZPWHBESA-N
MW379.42 g/mol
LogP4.99
Rot. Bonds3

About [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate

[(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 22884800) has the molecular formula C18H28F3NO4 and a molecular weight of 379.42 g/mol. Its IUPAC name is [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Name[(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID22884800
Molecular FormulaC18H28F3NO4
Molecular Weight379.42 g/mol
Exact Mass379.20
IUPAC Name[(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)C1CC[C@@H](C)CC1OC(=O)N1C(=O)O[C@@H](C(F)(F)F)[C@@H]1C(C)C
InChIInChI=1S/C18H28F3NO4/c1-9(2)12-7-6-11(5)8-13(12)25-16(23)22-14(10(3)4)15(18(19,20)21)26-17(22)24/h9-15H,6-8H2,1-5H3/t11-,12?,13?,14+,15-/m1/s1
InChIKeyUCZKCLHDZFVQAT-NNZPWHBESA-N
XLogP4.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

(4S,5R)-4-isopropyl-3-[(1R,3R,4S)-3-p-menthyloxycarbonyl]-5-trifluoromethyloxazolidin-2-one
CID 10714743
[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 67658011
(5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 70286847
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 70288939
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] (4R,5S)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 10619707
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 4-fluoro-2-oxo-1,3-oxazolidine-3-carboxylate
CID 102352689
[(1R,2S,5R)-5-(iodomethyl)-2-propan-2-ylcyclohexyl] (4R,5S)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
CID 162576618
[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-oxo-1,3-oxazolidine-3-carboxylate
CID 102352688

Frequently Asked Questions

What is the IUPAC name of [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate (CID 22884800) is [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate is CC(C)C1CC[C@@H](C)CC1OC(=O)N1C(=O)O[C@@H](C(F)(F)F)[C@@H]1C(C)C.
What is the InChIKey of [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is UCZKCLHDZFVQAT-NNZPWHBESA-N. The full InChI is InChI=1S/C18H28F3NO4/c1-9(2)12-7-6-11(5)8-13(12)25-16(23)22-14(10(3)4)15(18(19,20)21)26-17(22)24/h9-15H,6-8H2,1-5H3/t11-,12?,13?,14+,15-/m1/s1.
What are the key properties of [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate?
[(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 379.42 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-methyl-2-propan-2-ylcyclohexyl] (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 22884800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).