2-propan-2-yl-1,2-oxazolidin-4-ol

C6H13NO2 — CID 21031695

IUPAC2-propan-2-yl-1,2-oxazolidin-4-ol
SMILESCC(C)N1CC(O)CO1
InChIInChI=1S/C6H13NO2/c1-5(2)7-3-6(8)4-9-7/h5-6,8H,3-4H2,1-2H3
InChIKeyAUSISKMVZYCJEP-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.00
Rot. Bonds1

About 2-propan-2-yl-1,2-oxazolidin-4-ol

2-propan-2-yl-1,2-oxazolidin-4-ol (PubChem CID 21031695) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 2-propan-2-yl-1,2-oxazolidin-4-ol.

Molecular Properties

Compound Name2-propan-2-yl-1,2-oxazolidin-4-ol
PubChem CID21031695
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name2-propan-2-yl-1,2-oxazolidin-4-ol
SMILESCC(C)N1CC(O)CO1
InChIInChI=1S/C6H13NO2/c1-5(2)7-3-6(8)4-9-7/h5-6,8H,3-4H2,1-2H3
InChIKeyAUSISKMVZYCJEP-UHFFFAOYSA-N
XLogP0.00
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2-oxazolidin-4-ol?
The IUPAC name of 2-propan-2-yl-1,2-oxazolidin-4-ol (CID 21031695) is 2-propan-2-yl-1,2-oxazolidin-4-ol.
What is the SMILES notation for 2-propan-2-yl-1,2-oxazolidin-4-ol?
The canonical SMILES for 2-propan-2-yl-1,2-oxazolidin-4-ol is CC(C)N1CC(O)CO1.
What is the InChIKey of 2-propan-2-yl-1,2-oxazolidin-4-ol?
The InChIKey is AUSISKMVZYCJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5(2)7-3-6(8)4-9-7/h5-6,8H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2-oxazolidin-4-ol?
2-propan-2-yl-1,2-oxazolidin-4-ol has a molecular weight of 131.17 g/mol, XLogP of 0.00, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2-oxazolidin-4-ol is sourced from PubChem (CID 21031695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).