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

C11H23NO — CID 736165

IUPAC(2R,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-WDEREUQCSA-N
MW185.31 g/mol
LogP2.54
Rot. Bonds4

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

(2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (PubChem CID 736165) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.

Molecular Properties

Compound Name(2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine
PubChem CID736165
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name(2R,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-WDEREUQCSA-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

Analyze (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Oxazolidine, 3-ethyl-2-methyl-2-(3-methylbutyl)-
CID 4199499
Oxazolidine, 4-ethyl-2-methyl-2-(3-methylbutyl)-
CID 5105001
1-Oxa-4-azaspiro(4.5)decane, 8-methyl-
CID 3053402
1-Oxa-4-azaspiro(4.5)decane, 7-methyl-
CID 210916
Spiro(cyclohexane-1,2'-oxazolidine), 3-methyl-
CID 3053135
1-Oxa-4-azaspiro(4.5)decane, 6-methyl-
CID 3068528
(2S)-2-(2-methoxypropan-2-yl)pyrrolidine hydrochloride
CID 118619613
4-Ethyl-2-methyl-2-(2-methylpropyl)-1,3-oxazolidine
CID 19920832
(2S)-2-(2-methoxypropan-2-yl)pyrrolidine
CID 2733181
Oxazolidine, 4-(2-methylpropyl)-2-(trifluoromethyl)-, (4S)-
CID 11481019
4-(2-Methylpropyl)-2-(trifluoromethyl)-1,3-oxazolidine
CID 68906346
(S)-4-isobutyl-2-trifluoromethyl-oxazolidine
CID 68906347

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The IUPAC name of (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine (CID 736165) is (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine.
What is the SMILES notation for (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The canonical SMILES for (2R,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 (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
The InChIKey is QJMLZAWFWIPNOD-WDEREUQCSA-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 (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine?
(2R,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 (2R,4S)-4-ethyl-2-methyl-2-(3-methylbutyl)-1,3-oxazolidine is sourced from PubChem (CID 736165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).