3-butyl-1,3-oxazolidine

C7H15NO — CID 12589268

IUPAC3-butyl-1,3-oxazolidine
SMILESCCCCN1CCOC1
InChIInChI=1S/C7H15NO/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H3
InChIKeyLJMBYOFLHIOEGO-UHFFFAOYSA-N
MW129.20 g/mol
LogP1.08
Rot. Bonds3

About 3-butyl-1,3-oxazolidine

3-butyl-1,3-oxazolidine (PubChem CID 12589268) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-butyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-butyl-1,3-oxazolidine
PubChem CID12589268
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-butyl-1,3-oxazolidine
SMILESCCCCN1CCOC1
InChIInChI=1S/C7H15NO/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H3
InChIKeyLJMBYOFLHIOEGO-UHFFFAOYSA-N
XLogP1.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-1,3-oxazolidine?
The IUPAC name of 3-butyl-1,3-oxazolidine (CID 12589268) is 3-butyl-1,3-oxazolidine.
What is the SMILES notation for 3-butyl-1,3-oxazolidine?
The canonical SMILES for 3-butyl-1,3-oxazolidine is CCCCN1CCOC1.
What is the InChIKey of 3-butyl-1,3-oxazolidine?
The InChIKey is LJMBYOFLHIOEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-2-3-4-8-5-6-9-7-8/h2-7H2,1H3.
What are the key properties of 3-butyl-1,3-oxazolidine?
3-butyl-1,3-oxazolidine has a molecular weight of 129.20 g/mol, XLogP of 1.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1,3-oxazolidine is sourced from PubChem (CID 12589268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).