3-(2-methylpropyl)-1,3-oxazolidine

C7H15NO — CID 12622731

IUPAC3-(2-methylpropyl)-1,3-oxazolidine
SMILESCC(C)CN1CCOC1
InChIInChI=1S/C7H15NO/c1-7(2)5-8-3-4-9-6-8/h7H,3-6H2,1-2H3
InChIKeyVYNWYRJUPNOJLQ-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.93
Rot. Bonds2

About 3-(2-methylpropyl)-1,3-oxazolidine

3-(2-methylpropyl)-1,3-oxazolidine (PubChem CID 12622731) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 3-(2-methylpropyl)-1,3-oxazolidine.

Molecular Properties

Compound Name3-(2-methylpropyl)-1,3-oxazolidine
PubChem CID12622731
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name3-(2-methylpropyl)-1,3-oxazolidine
SMILESCC(C)CN1CCOC1
InChIInChI=1S/C7H15NO/c1-7(2)5-8-3-4-9-6-8/h7H,3-6H2,1-2H3
InChIKeyVYNWYRJUPNOJLQ-UHFFFAOYSA-N
XLogP0.93
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-1,3-oxazolidine?
The IUPAC name of 3-(2-methylpropyl)-1,3-oxazolidine (CID 12622731) is 3-(2-methylpropyl)-1,3-oxazolidine.
What is the SMILES notation for 3-(2-methylpropyl)-1,3-oxazolidine?
The canonical SMILES for 3-(2-methylpropyl)-1,3-oxazolidine is CC(C)CN1CCOC1.
What is the InChIKey of 3-(2-methylpropyl)-1,3-oxazolidine?
The InChIKey is VYNWYRJUPNOJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c1-7(2)5-8-3-4-9-6-8/h7H,3-6H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-1,3-oxazolidine?
3-(2-methylpropyl)-1,3-oxazolidine has a molecular weight of 129.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-1,3-oxazolidine is sourced from PubChem (CID 12622731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).