1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol

C8H17NO2 — CID 19994126

IUPAC1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol
SMILESCC(C)C1OCCN1C(C)O
InChIInChI=1S/C8H17NO2/c1-6(2)8-9(7(3)10)4-5-11-8/h6-8,10H,4-5H2,1-3H3
InChIKeyWXVLAUWLFQIRIA-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.64
Rot. Bonds2

About 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol

1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol (PubChem CID 19994126) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol.

Molecular Properties

Compound Name1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol
PubChem CID19994126
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol
SMILESCC(C)C1OCCN1C(C)O
InChIInChI=1S/C8H17NO2/c1-6(2)8-9(7(3)10)4-5-11-8/h6-8,10H,4-5H2,1-3H3
InChIKeyWXVLAUWLFQIRIA-UHFFFAOYSA-N
XLogP0.64
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol?
The IUPAC name of 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol (CID 19994126) is 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol.
What is the SMILES notation for 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol?
The canonical SMILES for 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol is CC(C)C1OCCN1C(C)O.
What is the InChIKey of 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol?
The InChIKey is WXVLAUWLFQIRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-6(2)8-9(7(3)10)4-5-11-8/h6-8,10H,4-5H2,1-3H3.
What are the key properties of 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol?
1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol has a molecular weight of 159.23 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-yl-1,3-oxazolidin-3-yl)ethanol is sourced from PubChem (CID 19994126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).