(2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine

C9H19NO — CID 58307513

IUPAC(2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine
SMILESCCN1[C@H](C)OC(C)(C)[C@@H]1C
InChIInChI=1S/C9H19NO/c1-6-10-7(2)9(4,5)11-8(10)3/h7-8H,6H2,1-5H3/t7-,8-/m0/s1
InChIKeyMYOOROQPZKSMNZ-YUMQZZPRSA-N
MW157.26 g/mol
LogP1.85
Rot. Bonds1

About (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine

(2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine (PubChem CID 58307513) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine
PubChem CID58307513
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine
SMILESCCN1[C@H](C)OC(C)(C)[C@@H]1C
InChIInChI=1S/C9H19NO/c1-6-10-7(2)9(4,5)11-8(10)3/h7-8H,6H2,1-5H3/t7-,8-/m0/s1
InChIKeyMYOOROQPZKSMNZ-YUMQZZPRSA-N
XLogP1.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine?
The IUPAC name of (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine (CID 58307513) is (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine is CCN1[C@H](C)OC(C)(C)[C@@H]1C.
What is the InChIKey of (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine?
The InChIKey is MYOOROQPZKSMNZ-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H19NO/c1-6-10-7(2)9(4,5)11-8(10)3/h7-8H,6H2,1-5H3/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine?
(2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine has a molecular weight of 157.26 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-3-ethyl-2,4,5,5-tetramethyl-1,3-oxazolidine is sourced from PubChem (CID 58307513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).