(1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol

C14H21NO2 — CID 10776132

IUPAC(1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol
SMILESCCC[C@@H](O)[C@H]1C[C@H](c2ccccc2)N(C)O1
InChIInChI=1S/C14H21NO2/c1-3-7-13(16)14-10-12(15(2)17-14)11-8-5-4-6-9-11/h4-6,8-9,12-14,16H,3,7,10H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyRELHPGGAMPPLQR-MGPQQGTHSA-N
MW235.33 g/mol
LogP2.52
Rot. Bonds4

About (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol

(1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol (PubChem CID 10776132) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol
PubChem CID10776132
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol
SMILESCCC[C@@H](O)[C@H]1C[C@H](c2ccccc2)N(C)O1
InChIInChI=1S/C14H21NO2/c1-3-7-13(16)14-10-12(15(2)17-14)11-8-5-4-6-9-11/h4-6,8-9,12-14,16H,3,7,10H2,1-2H3/t12-,13-,14-/m1/s1
InChIKeyRELHPGGAMPPLQR-MGPQQGTHSA-N
XLogP2.52
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol with MolForge

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Related Compounds

3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-, (3-alpha,4-beta,6-beta)-
CID 3043687
3,4-Piperidinediol, 1,3-dimethyl-6-phenyl-, hydrochloride, (3-alpha,4-beta,6-beta)-
CID 3051108
3,4-Piperidinediol, 1,3-dimethyl-6-(4-methylphenyl)-, (3-alpha,4-alpha,6-beta)-
CID 3075885
(2R,3R,4R,5R)-1,2-dimethyl-5-phenylpyrrolidine-3,4-diol
CID 12016357
(2R,3R,4R,5R)-1,2-dimethyl-5-(4-methylphenyl)pyrrolidine-3,4-diol
CID 155542296
(3R,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 15151212
(3S,5S)-2-methyl-3-phenyl-5-(trifluoromethyl)-1,2-oxazolidine
CID 101639521
(3r,5s)-5-Iodomethyl-2-methyl-3-phenyl-isoxazolidine
CID 11141200
(3R,5S)-2-tert-Butyl-5-iodomethyl-3-phenyl-isoxazolidine
CID 21582106
(3R,5R)-5-(iodomethyl)-2-methyl-3-phenyl-1,2-oxazolidine
CID 5323941
[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]methanol
CID 6933895
(3R,5R)-2-methyl-3-phenyl-5-prop-2-enyl-1,2-oxazolidine
CID 10420426

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol?
The IUPAC name of (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol (CID 10776132) is (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol.
What is the SMILES notation for (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol?
The canonical SMILES for (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol is CCC[C@@H](O)[C@H]1C[C@H](c2ccccc2)N(C)O1.
What is the InChIKey of (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol?
The InChIKey is RELHPGGAMPPLQR-MGPQQGTHSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-7-13(16)14-10-12(15(2)17-14)11-8-5-4-6-9-11/h4-6,8-9,12-14,16H,3,7,10H2,1-2H3/t12-,13-,14-/m1/s1.
What are the key properties of (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol?
(1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol has a molecular weight of 235.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3R,5R)-2-methyl-3-phenyl-1,2-oxazolidin-5-yl]butan-1-ol is sourced from PubChem (CID 10776132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).