(3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine

C15H22FNO — CID 59062237

IUPAC(3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine
SMILESCN1O[C@@H](c2ccc(F)cc2)C[C@]1(C)C(C)(C)C
InChIInChI=1S/C15H22FNO/c1-14(2,3)15(4)10-13(18-17(15)5)11-6-8-12(16)9-7-11/h6-9,13H,10H2,1-5H3/t13-,15-/m1/s1
InChIKeySRIOVCPERRDVMU-UKRRQHHQSA-N
MW251.34 g/mol
LogP3.94
Rot. Bonds1

About (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine

(3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine (PubChem CID 59062237) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine.

Molecular Properties

Compound Name(3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine
PubChem CID59062237
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name(3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine
SMILESCN1O[C@@H](c2ccc(F)cc2)C[C@]1(C)C(C)(C)C
InChIInChI=1S/C15H22FNO/c1-14(2,3)15(4)10-13(18-17(15)5)11-6-8-12(16)9-7-11/h6-9,13H,10H2,1-5H3/t13-,15-/m1/s1
InChIKeySRIOVCPERRDVMU-UKRRQHHQSA-N
XLogP3.94
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-5-phenylisoxazolidine
CID 11051981
(3R,5S)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine
CID 59062362
CID 69441993
CID 69441993
(4R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
CID 134567704
(5S)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine
CID 134567718
(4R,5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
CID 135226208
(5S)-5-(3,4-difluorophenyl)-2-ethyl-1,2-oxazolidine
CID 145228395
(4R,5R)-2-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)-4-methyl-1,2-oxazolidine
CID 145228408
(4R,5R)-5-(4-fluorophenyl)-2-(2-methoxyethyl)-4-methyl-1,2-oxazolidine
CID 145228461
(4R,5R)-5-(3,4-difluorophenyl)-4-ethyl-2-(2-methoxyethyl)-1,2-oxazolidine
CID 145228708
(4R,5R)-5-(3,4-difluorophenyl)-2-ethyl-4-methyl-1,2-oxazolidine
CID 145228956
(5R)-5-(3,4-difluorophenyl)-2-(2-methoxyethyl)-1,2-oxazolidine
CID 145229023

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine?
The IUPAC name of (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine (CID 59062237) is (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine.
What is the SMILES notation for (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine?
The canonical SMILES for (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine is CN1O[C@@H](c2ccc(F)cc2)C[C@]1(C)C(C)(C)C.
What is the InChIKey of (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine?
The InChIKey is SRIOVCPERRDVMU-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H22FNO/c1-14(2,3)15(4)10-13(18-17(15)5)11-6-8-12(16)9-7-11/h6-9,13H,10H2,1-5H3/t13-,15-/m1/s1.
What are the key properties of (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine?
(3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine has a molecular weight of 251.34 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-tert-butyl-5-(4-fluorophenyl)-2,3-dimethyl-1,2-oxazolidine is sourced from PubChem (CID 59062237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).