2-propan-2-yl-1,3-oxazolidine

C6H13NO — CID 22661596

IUPAC2-propan-2-yl-1,3-oxazolidine
SMILESCC(C)C1NCCO1
InChIInChI=1S/C6H13NO/c1-5(2)6-7-3-4-8-6/h5-7H,3-4H2,1-2H3
InChIKeyWGESJTHIONWBDD-UHFFFAOYSA-N
MW115.18 g/mol
LogP0.59
Rot. Bonds1

About 2-propan-2-yl-1,3-oxazolidine

2-propan-2-yl-1,3-oxazolidine (PubChem CID 22661596) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name2-propan-2-yl-1,3-oxazolidine
PubChem CID22661596
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name2-propan-2-yl-1,3-oxazolidine
SMILESCC(C)C1NCCO1
InChIInChI=1S/C6H13NO/c1-5(2)6-7-3-4-8-6/h5-7H,3-4H2,1-2H3
InChIKeyWGESJTHIONWBDD-UHFFFAOYSA-N
XLogP0.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-oxazolidine?
The IUPAC name of 2-propan-2-yl-1,3-oxazolidine (CID 22661596) is 2-propan-2-yl-1,3-oxazolidine.
What is the SMILES notation for 2-propan-2-yl-1,3-oxazolidine?
The canonical SMILES for 2-propan-2-yl-1,3-oxazolidine is CC(C)C1NCCO1.
What is the InChIKey of 2-propan-2-yl-1,3-oxazolidine?
The InChIKey is WGESJTHIONWBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO/c1-5(2)6-7-3-4-8-6/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,3-oxazolidine?
2-propan-2-yl-1,3-oxazolidine has a molecular weight of 115.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,3-oxazolidine is sourced from PubChem (CID 22661596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).