(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine

C12H17NO — CID 10012771

IUPAC(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine
SMILESCC[C@@H]1O[C@H](c2ccccc2)CN1C
InChIInChI=1S/C12H17NO/c1-3-12-13(2)9-11(14-12)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3/t11-,12-/m0/s1
InChIKeyMJSYMXJUSLWEOP-RYUDHWBXSA-N
MW191.27 g/mol
LogP2.43
Rot. Bonds2

About (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine

(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine (PubChem CID 10012771) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine
PubChem CID10012771
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine
SMILESCC[C@@H]1O[C@H](c2ccccc2)CN1C
InChIInChI=1S/C12H17NO/c1-3-12-13(2)9-11(14-12)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3/t11-,12-/m0/s1
InChIKeyMJSYMXJUSLWEOP-RYUDHWBXSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,5R)-2-ethyl-5-phenyloxolane
CID 102280065
(2R,6S)-2,4,6-triphenylmorpholine
CID 102292623
2,4-diethyl-6-phenyl-1,3-dioxane
CID 71439891
4-methyl-2-phenyl-6-(pyrrolidin-1-ylmethyl)morpholine
CID 154400121
3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanoic acid
CID 125130229
6-amino-4-methyl-2,7-diphenyl-1,4-oxazepan-5-one
CID 68605942
(2-methyl-5-phenyl-1,3-oxazolidin-3-yl)-phenylmethanone
CID 110740529
(2-methyl-6-phenylmorpholin-4-yl)-phenylmethanone
CID 47914795
2-[(2S,6R)-2-methyl-6-phenylmorpholin-4-yl]acetic acid
CID 100637021
N-cyclopropyl-3-[(2S,6S)-2-methyl-6-phenylmorpholin-4-yl]propanamide
CID 94823090
2-methyl-3-methylsulfonyl-5-phenyl-1,3-oxazolidine
CID 110740568
ethane;2-phenyloxirane
CID 54171856

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine?
The IUPAC name of (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine (CID 10012771) is (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine?
The canonical SMILES for (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine is CC[C@@H]1O[C@H](c2ccccc2)CN1C.
What is the InChIKey of (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine?
The InChIKey is MJSYMXJUSLWEOP-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12-13(2)9-11(14-12)10-7-5-4-6-8-10/h4-8,11-12H,3,9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine?
(2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine has a molecular weight of 191.27 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2-ethyl-3-methyl-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 10012771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).