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

C18H28F3NO4 — CID 70286847

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C(C)C)C1
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+/m0/s1
InChIKeyUCZKCLHDZFVQAT-KDLDWMSOSA-N
MW379.42 g/mol
LogP4.99
Rot. Bonds3

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

(5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 70286847) has the molecular formula C18H28F3NO4 and a molecular weight of 379.42 g/mol. Its IUPAC name is (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(5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID70286847
Molecular FormulaC18H28F3NO4
Molecular Weight379.42 g/mol
Exact Mass379.20
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC1CCC(C(C)C)C(OC(=O)N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C(C)C)C1
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+/m0/s1
InChIKeyUCZKCLHDZFVQAT-KDLDWMSOSA-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

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Frequently Asked Questions

What is the IUPAC name of (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 (5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate (CID 70286847) is (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 (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 (5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate is CC1CCC(C(C)C)C(OC(=O)N2C(=O)O[C@@H](C(F)(F)F)[C@@H]2C(C)C)C1.
What is the InChIKey of (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-KDLDWMSOSA-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+/m0/s1.
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) (4S,5R)-2-oxo-4-propan-2-yl-5-(trifluoromethyl)-1,3-oxazolidine-3-carboxylate?
(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 (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 70286847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).