(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine

C11H15NO — CID 130754154

IUPAC(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESC[C@@H]1N[C@H](C)O[C@@H]1c1ccccc1
InChIInChI=1S/C11H15NO/c1-8-11(13-9(2)12-8)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t8-,9-,11-/m0/s1
InChIKeyKWVWCOPFNFBTBN-QXEWZRGKSA-N
MW177.25 g/mol
LogP2.08
Rot. Bonds1

About (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine

(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine (PubChem CID 130754154) has the molecular formula C11H15NO and a molecular weight of 177.25 g/mol. Its IUPAC name is (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine
PubChem CID130754154
Molecular FormulaC11H15NO
Molecular Weight177.25 g/mol
Exact Mass177.12
IUPAC Name(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine
SMILESC[C@@H]1N[C@H](C)O[C@@H]1c1ccccc1
InChIInChI=1S/C11H15NO/c1-8-11(13-9(2)12-8)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t8-,9-,11-/m0/s1
InChIKeyKWVWCOPFNFBTBN-QXEWZRGKSA-N
XLogP2.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4S,5R)-2-(4-fluorophenyl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 10796683
4-methyl-5-phenyl-2-pyridin-3-yl-1,3-oxazolidine
CID 584280
2-(furan-3-yl)-4-methyl-5-phenyl-1,3-oxazolidine
CID 578967
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
(4S)-4,5-dimethyl-2-phenyl-1,3-dioxolane
CID 68508640
(2S,4S,5R)-4-methyl-5-phenyl-2-[4-(2H-[1,2,4]triazolo[1,5-a]pyridin-4-ium-2-yl)phenyl]-1,3-oxazolidine
CID 10498616
2-(4-bromophenyl)-3-methyl-6-phenylmorpholine
CID 43438861
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane
CID 132539210

Frequently Asked Questions

What is the IUPAC name of (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine (CID 130754154) is (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine is C[C@@H]1N[C@H](C)O[C@@H]1c1ccccc1.
What is the InChIKey of (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine?
The InChIKey is KWVWCOPFNFBTBN-QXEWZRGKSA-N. The full InChI is InChI=1S/C11H15NO/c1-8-11(13-9(2)12-8)10-6-4-3-5-7-10/h3-9,11-12H,1-2H3/t8-,9-,11-/m0/s1.
What are the key properties of (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine?
(2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine has a molecular weight of 177.25 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 130754154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).