(4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine

C12H17NO — CID 129299328

IUPAC(4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine
SMILESCCC1(c2ccccc2)N[C@@H](C)CO1
InChIInChI=1S/C12H17NO/c1-3-12(13-10(2)9-14-12)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-,12?/m0/s1
InChIKeyBXGRKKRNFWZUOD-NUHJPDEHSA-N
MW191.27 g/mol
LogP2.26
Rot. Bonds2

About (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine

(4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine (PubChem CID 129299328) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine
PubChem CID129299328
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine
SMILESCCC1(c2ccccc2)N[C@@H](C)CO1
InChIInChI=1S/C12H17NO/c1-3-12(13-10(2)9-14-12)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-,12?/m0/s1
InChIKeyBXGRKKRNFWZUOD-NUHJPDEHSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine?
The IUPAC name of (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine (CID 129299328) is (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine.
What is the SMILES notation for (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine?
The canonical SMILES for (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine is CCC1(c2ccccc2)N[C@@H](C)CO1.
What is the InChIKey of (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine?
The InChIKey is BXGRKKRNFWZUOD-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H17NO/c1-3-12(13-10(2)9-14-12)11-7-5-4-6-8-11/h4-8,10,13H,3,9H2,1-2H3/t10-,12?/m0/s1.
What are the key properties of (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine?
(4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine has a molecular weight of 191.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine is sourced from PubChem (CID 129299328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).