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

C11H23NO — CID 736167

IUPAC(2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCC[C@H]1CO[C@@](C)(CCC(C)C)N1
InChIInChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyQJMLZAWFWIPNOD-QWRGUYRKSA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds4

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

(2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (PubChem CID 736167) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
PubChem CID736167
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
SMILESCC[C@H]1CO[C@@](C)(CCC(C)C)N1
InChIInChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3/t10-,11-/m0/s1
InChIKeyQJMLZAWFWIPNOD-QWRGUYRKSA-N
XLogP2.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The IUPAC name of (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (CID 736167) is (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.
What is the SMILES notation for (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The canonical SMILES for (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is CC[C@H]1CO[C@@](C)(CCC(C)C)N1.
What is the InChIKey of (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The InChIKey is QJMLZAWFWIPNOD-QWRGUYRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10-8-13-11(4,12-10)7-6-9(2)3/h9-10,12H,5-8H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
(2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine has a molecular weight of 185.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is sourced from PubChem (CID 736167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).