2,3,5-trimethyl-1,2-oxazolidine

C6H13NO — CID 123377058

IUPAC2,3,5-trimethyl-1,2-oxazolidine
SMILESCC1CC(C)N(C)O1
InChIInChI=1S/C6H13NO/c1-5-4-6(2)8-7(5)3/h5-6H,4H2,1-3H3
InChIKeyVUFJWAHQEAIGLT-UHFFFAOYSA-N
MW115.18 g/mol
LogP1.03
Rot. Bonds

About 2,3,5-trimethyl-1,2-oxazolidine

2,3,5-trimethyl-1,2-oxazolidine (PubChem CID 123377058) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2,3,5-trimethyl-1,2-oxazolidine.

Molecular Properties

Compound Name2,3,5-trimethyl-1,2-oxazolidine
PubChem CID123377058
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2,3,5-trimethyl-1,2-oxazolidine
SMILESCC1CC(C)N(C)O1
InChIInChI=1S/C6H13NO/c1-5-4-6(2)8-7(5)3/h5-6H,4H2,1-3H3
InChIKeyVUFJWAHQEAIGLT-UHFFFAOYSA-N
XLogP1.03
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-1,2-oxazolidine?
The IUPAC name of 2,3,5-trimethyl-1,2-oxazolidine (CID 123377058) is 2,3,5-trimethyl-1,2-oxazolidine.
What is the SMILES notation for 2,3,5-trimethyl-1,2-oxazolidine?
The canonical SMILES for 2,3,5-trimethyl-1,2-oxazolidine is CC1CC(C)N(C)O1.
What is the InChIKey of 2,3,5-trimethyl-1,2-oxazolidine?
The InChIKey is VUFJWAHQEAIGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-4-6(2)8-7(5)3/h5-6H,4H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-1,2-oxazolidine?
2,3,5-trimethyl-1,2-oxazolidine has a molecular weight of 115.18 g/mol, XLogP of 1.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-1,2-oxazolidine is sourced from PubChem (CID 123377058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).