1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol

C9H19NO2 — CID 19994131

IUPAC1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol
SMILESCC(O)CN1CC(C)OC1(C)C
InChIInChI=1S/C9H19NO2/c1-7(11)5-10-6-8(2)12-9(10,3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyFUECVQJEQXXUSV-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.82
Rot. Bonds2

About 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol

1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol (PubChem CID 19994131) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol
PubChem CID19994131
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol
SMILESCC(O)CN1CC(C)OC1(C)C
InChIInChI=1S/C9H19NO2/c1-7(11)5-10-6-8(2)12-9(10,3)4/h7-8,11H,5-6H2,1-4H3
InChIKeyFUECVQJEQXXUSV-UHFFFAOYSA-N
XLogP0.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol?
The IUPAC name of 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol (CID 19994131) is 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol.
What is the SMILES notation for 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol?
The canonical SMILES for 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol is CC(O)CN1CC(C)OC1(C)C.
What is the InChIKey of 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol?
The InChIKey is FUECVQJEQXXUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-7(11)5-10-6-8(2)12-9(10,3)4/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol?
1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol has a molecular weight of 173.26 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,5-trimethyl-1,3-oxazolidin-3-yl)propan-2-ol is sourced from PubChem (CID 19994131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).