4-tert-butyl-1,3-oxazolidine

C7H15NO — CID 23383482

IUPAC4-tert-butyl-1,3-oxazolidine
SMILESCC(C)(C)C1COCN1
InChIInChI=1S/C7H15NO/c1-7(2,3)6-4-9-5-8-6/h6,8H,4-5H2,1-3H3
InChIKeyFJQLINOOAOTIDX-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.98
Rot. Bonds

About 4-tert-butyl-1,3-oxazolidine

4-tert-butyl-1,3-oxazolidine (PubChem CID 23383482) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 4-tert-butyl-1,3-oxazolidine.

Molecular Properties

Compound Name4-tert-butyl-1,3-oxazolidine
PubChem CID23383482
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name4-tert-butyl-1,3-oxazolidine
SMILESCC(C)(C)C1COCN1
InChIInChI=1S/C7H15NO/c1-7(2,3)6-4-9-5-8-6/h6,8H,4-5H2,1-3H3
InChIKeyFJQLINOOAOTIDX-UHFFFAOYSA-N
XLogP0.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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-tert-butyl-1,3-oxazolidine?
The IUPAC name of 4-tert-butyl-1,3-oxazolidine (CID 23383482) is 4-tert-butyl-1,3-oxazolidine.
What is the SMILES notation for 4-tert-butyl-1,3-oxazolidine?
The canonical SMILES for 4-tert-butyl-1,3-oxazolidine is CC(C)(C)C1COCN1.
What is the InChIKey of 4-tert-butyl-1,3-oxazolidine?
The InChIKey is FJQLINOOAOTIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2,3)6-4-9-5-8-6/h6,8H,4-5H2,1-3H3.
What are the key properties of 4-tert-butyl-1,3-oxazolidine?
4-tert-butyl-1,3-oxazolidine has a molecular weight of 129.20 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1,3-oxazolidine is sourced from PubChem (CID 23383482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).