3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol

C17H26FNO3 — CID 85159647

IUPAC3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol
SMILESCCOC1CC(C(C)(F)C(C)(C)O)N(Cc2ccccc2)O1
InChIInChI=1S/C17H26FNO3/c1-5-21-15-11-14(17(4,18)16(2,3)20)19(22-15)12-13-9-7-6-8-10-13/h6-10,14-15,20H,5,11-12H2,1-4H3
InChIKeyBNPDZPWBUVFYBE-UHFFFAOYSA-N
MW311.40 g/mol
LogP3.05
Rot. Bonds6

About 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol

3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol (PubChem CID 85159647) has the molecular formula C17H26FNO3 and a molecular weight of 311.40 g/mol. Its IUPAC name is 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol
PubChem CID85159647
Molecular FormulaC17H26FNO3
Molecular Weight311.40 g/mol
Exact Mass311.19
IUPAC Name3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol
SMILESCCOC1CC(C(C)(F)C(C)(C)O)N(Cc2ccccc2)O1
InChIInChI=1S/C17H26FNO3/c1-5-21-15-11-14(17(4,18)16(2,3)20)19(22-15)12-13-9-7-6-8-10-13/h6-10,14-15,20H,5,11-12H2,1-4H3
InChIKeyBNPDZPWBUVFYBE-UHFFFAOYSA-N
XLogP3.05
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol
CID 10541764
2-(1-benzylaziridin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 102132655
(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate
CID 102406016
2-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
CID 15180764
(2R,3aR,4R,6S)-2,6-diethoxy-4-phenyl-2,3,3a,4,5,6-hexahydro-[1,2]oxazolo[2,3-b]oxazine
CID 15399965
ethyl (3R,5S)-1-benzyl-5-(trifluoromethyl)pyrrolidine-3-carboxylate
CID 71537980
[(1S,2R)-2-ethoxycyclopropyl]-diphenylmethanol
CID 125473550
diethyl (2R,4S)-1-benzylazetidine-2,4-dicarboxylate
CID 102218591
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
2-(1-benzylpiperidin-2-yl)-1,1,1-trifluoropropan-2-ol
CID 83982308
(1S,4R,5R)-6-benzyl-4-fluoro-3,3,4-trimethyl-2,7-dioxa-6-azabicyclo[3.2.1]octane
CID 10825587
(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine
CID 11558094

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol?
The IUPAC name of 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol (CID 85159647) is 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol.
What is the SMILES notation for 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol?
The canonical SMILES for 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol is CCOC1CC(C(C)(F)C(C)(C)O)N(Cc2ccccc2)O1.
What is the InChIKey of 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol?
The InChIKey is BNPDZPWBUVFYBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FNO3/c1-5-21-15-11-14(17(4,18)16(2,3)20)19(22-15)12-13-9-7-6-8-10-13/h6-10,14-15,20H,5,11-12H2,1-4H3.
What are the key properties of 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol?
3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol has a molecular weight of 311.40 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol is sourced from PubChem (CID 85159647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).