(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol

C17H27NO3 — CID 10541764

IUPAC(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol
SMILESCCOC1C[C@@H]([C@H](C)C(C)(C)O)N(Cc2ccccc2)O1
InChIInChI=1S/C17H27NO3/c1-5-20-16-11-15(13(2)17(3,4)19)18(21-16)12-14-9-7-6-8-10-14/h6-10,13,15-16,19H,5,11-12H2,1-4H3/t13-,15-,16?/m0/s1
InChIKeyXSMZYHMHKDEHRS-JFXOEICMSA-N
MW293.41 g/mol
LogP2.96
Rot. Bonds6

About (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol

(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol (PubChem CID 10541764) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol.

Molecular Properties

Compound Name(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol
PubChem CID10541764
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol
SMILESCCOC1C[C@@H]([C@H](C)C(C)(C)O)N(Cc2ccccc2)O1
InChIInChI=1S/C17H27NO3/c1-5-20-16-11-15(13(2)17(3,4)19)18(21-16)12-14-9-7-6-8-10-14/h6-10,13,15-16,19H,5,11-12H2,1-4H3/t13-,15-,16?/m0/s1
InChIKeyXSMZYHMHKDEHRS-JFXOEICMSA-N
XLogP2.96
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl)-3-fluoro-2-methylbutan-2-ol
CID 85159647
[(3S,5R)-2-benzyl-3-[(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazolidin-5-yl] acetate
CID 10531902
(2-benzyl-3-cyclohexyl-1,2-oxazolidin-5-yl) acetate
CID 102406016
(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 2-[(3S,4S)-2-benzyl-4-[tert-butyl(dimethyl)silyl]oxy-1,2-oxazolidin-3-yl]acetate
CID 15839780
[(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-benzyl-5-diethoxyphosphoryl-3-phenyl-1,2-oxazolidine
CID 15180764
(3S,5R)-5-ethoxy-2-phenyl-3-pyridin-3-yl-1,2-oxazolidine
CID 11558094
[(3S,5S)-2-benzyl-5-phenyl-3-propan-2-yl-1,2-oxazolidin-5-yl]oxy-tert-butyl-dimethylsilane
CID 134923906
(2-benzyl-3-propan-2-yl-3H-1,2-oxazol-5-yl)methoxy-tert-butyl-dimethylsilane
CID 102461683

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol?
The IUPAC name of (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol (CID 10541764) is (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol.
What is the SMILES notation for (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol?
The canonical SMILES for (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol is CCOC1C[C@@H]([C@H](C)C(C)(C)O)N(Cc2ccccc2)O1.
What is the InChIKey of (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol?
The InChIKey is XSMZYHMHKDEHRS-JFXOEICMSA-N. The full InChI is InChI=1S/C17H27NO3/c1-5-20-16-11-15(13(2)17(3,4)19)18(21-16)12-14-9-7-6-8-10-14/h6-10,13,15-16,19H,5,11-12H2,1-4H3/t13-,15-,16?/m0/s1.
What are the key properties of (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol?
(3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(3S)-2-benzyl-5-ethoxy-1,2-oxazolidin-3-yl]-2-methylbutan-2-ol is sourced from PubChem (CID 10541764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).