4-butan-2-yl-1,3-oxazolidine

C7H15NO — CID 23396993

IUPAC4-butan-2-yl-1,3-oxazolidine
SMILESCCC(C)C1COCN1
InChIInChI=1S/C7H15NO/c1-3-6(2)7-4-9-5-8-7/h6-8H,3-5H2,1-2H3
InChIKeyUEYIDUPXZDBBKE-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.98
Rot. Bonds2

About 4-butan-2-yl-1,3-oxazolidine

4-butan-2-yl-1,3-oxazolidine (PubChem CID 23396993) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-butan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name4-butan-2-yl-1,3-oxazolidine
PubChem CID23396993
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-butan-2-yl-1,3-oxazolidine
SMILESCCC(C)C1COCN1
InChIInChI=1S/C7H15NO/c1-3-6(2)7-4-9-5-8-7/h6-8H,3-5H2,1-2H3
InChIKeyUEYIDUPXZDBBKE-UHFFFAOYSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1,3-oxazolidine?
The IUPAC name of 4-butan-2-yl-1,3-oxazolidine (CID 23396993) is 4-butan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 4-butan-2-yl-1,3-oxazolidine?
The canonical SMILES for 4-butan-2-yl-1,3-oxazolidine is CCC(C)C1COCN1.
What is the InChIKey of 4-butan-2-yl-1,3-oxazolidine?
The InChIKey is UEYIDUPXZDBBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-6(2)7-4-9-5-8-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 4-butan-2-yl-1,3-oxazolidine?
4-butan-2-yl-1,3-oxazolidine has a molecular weight of 129.20 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 23396993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).