(2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine

C16H23NO2 — CID 11821385

IUPAC(2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine
SMILESC[C@@H]1[C@H](c2ccccc2)O[C@H]([C@H]2CCCOC2)N1C
InChIInChI=1S/C16H23NO2/c1-12-15(13-7-4-3-5-8-13)19-16(17(12)2)14-9-6-10-18-11-14/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3/t12-,14+,15-,16-/m1/s1
InChIKeyCTGDRNFDKTXTMH-SLBVQIDZSA-N
MW261.36 g/mol
LogP2.83
Rot. Bonds2

About (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine

(2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine (PubChem CID 11821385) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine
PubChem CID11821385
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name(2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine
SMILESC[C@@H]1[C@H](c2ccccc2)O[C@H]([C@H]2CCCOC2)N1C
InChIInChI=1S/C16H23NO2/c1-12-15(13-7-4-3-5-8-13)19-16(17(12)2)14-9-6-10-18-11-14/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3/t12-,14+,15-,16-/m1/s1
InChIKeyCTGDRNFDKTXTMH-SLBVQIDZSA-N
XLogP2.83
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine with MolForge

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Related Compounds

Phendimetrazine
CID 30487
Bontril
CID 12460
3,4-Dimethyl-5-phenyl-1,3-oxazolidine
CID 434666
2-Phenyl-4-propyl-tetrahydro-1,4-oxazine
CID 6430941
Phendimetrazine hydrochloride
CID 6437591
Piperidine, 1-(beta-ethoxyphenethyl)-
CID 99794
3,4-Dimethyl-2-phenylmorpholine--hydrogen chloride (1/1)
CID 111021
Amixetrine
CID 71911
(3S,6S)-3-Benzhydryloxy-6-methoxy-8-methyl-8-aza-bicyclo[3.2.1]octane
CID 44380875
(3S,6S)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 45263252
(3S,6R)-3-benzhydryloxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 71452744
1-[2-[(2R,6S)-6-phenyloxan-2-yl]ethyl]pyrrolidine
CID 164609782

Frequently Asked Questions

What is the IUPAC name of (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine (CID 11821385) is (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine is C[C@@H]1[C@H](c2ccccc2)O[C@H]([C@H]2CCCOC2)N1C.
What is the InChIKey of (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine?
The InChIKey is CTGDRNFDKTXTMH-SLBVQIDZSA-N. The full InChI is InChI=1S/C16H23NO2/c1-12-15(13-7-4-3-5-8-13)19-16(17(12)2)14-9-6-10-18-11-14/h3-5,7-8,12,14-16H,6,9-11H2,1-2H3/t12-,14+,15-,16-/m1/s1.
What are the key properties of (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine?
(2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine has a molecular weight of 261.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R,5S)-3,4-dimethyl-2-[(3S)-oxan-3-yl]-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 11821385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).