(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine

C17H19NO — CID 101229912

IUPAC(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
SMILESC[C@@]1(c2ccccc2)OCCN1Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-17(16-10-6-3-7-11-16)18(12-13-19-17)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3/t17-/m0/s1
InChIKeyPAELRWAWUMHXAM-KRWDZBQOSA-N
MW253.35 g/mol
LogP3.39
Rot. Bonds3

About (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine

(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine (PubChem CID 101229912) has the molecular formula C17H19NO and a molecular weight of 253.35 g/mol. Its IUPAC name is (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
PubChem CID101229912
Molecular FormulaC17H19NO
Molecular Weight253.35 g/mol
Exact Mass253.15
IUPAC Name(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine
SMILESC[C@@]1(c2ccccc2)OCCN1Cc1ccccc1
InChIInChI=1S/C17H19NO/c1-17(16-10-6-3-7-11-16)18(12-13-19-17)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3/t17-/m0/s1
InChIKeyPAELRWAWUMHXAM-KRWDZBQOSA-N
XLogP3.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-benzyl-2-methyl-2-phenylpiperazine
CID 64844450
6-benzyl-1-oxa-6-azaspiro[2.3]hexane
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1-benzyl-2,2-dimethylpyrrolidine
CID 10954329
[(2S)-4-benzyl-2-methylmorpholin-2-yl]methanol
CID 169228655
7-benzyl-1,4-dimethyl-2,6-dioxa-7-azabicyclo[2.2.2]octane
CID 11053540
1-[(3-chlorophenyl)methyl]-2-methyl-2-phenylpiperazine
CID 64847016
(1-benzyl-2-methylazetidin-2-yl)methanol
CID 53343747
(2R,4R)-1-benzyl-4-chloro-2-methyl-2-phenylpyrrolidine
CID 11087372
1-benzyl-5,8-dioxa-1-azaspiro[3.5]nonane
CID 70380943
(2R,4R)-1-benzyl-4-bromo-2-methyl-2-phenylpyrrolidine
CID 10892860
(1R,5S)-2-benzyl-1-methyl-2-azabicyclo[3.1.0]hexane
CID 101450566
1-benzyl-2,2-dimethylpyrrolidin-3-ol
CID 83848241

Frequently Asked Questions

What is the IUPAC name of (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine?
The IUPAC name of (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine (CID 101229912) is (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine is C[C@@]1(c2ccccc2)OCCN1Cc1ccccc1.
What is the InChIKey of (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine?
The InChIKey is PAELRWAWUMHXAM-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO/c1-17(16-10-6-3-7-11-16)18(12-13-19-17)14-15-8-4-2-5-9-15/h2-11H,12-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine?
(2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine has a molecular weight of 253.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-benzyl-2-methyl-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 101229912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).