1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol

C12H25NO2 — CID 19994130

IUPAC1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol
SMILESCC(C)CC1(C)OC(C)CN1CC(C)O
InChIInChI=1S/C12H25NO2/c1-9(2)6-12(5)13(7-10(3)14)8-11(4)15-12/h9-11,14H,6-8H2,1-5H3
InChIKeyHKGNIWPYLNEMFZ-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.85
Rot. Bonds4

About 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol

1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol (PubChem CID 19994130) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol
PubChem CID19994130
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol
SMILESCC(C)CC1(C)OC(C)CN1CC(C)O
InChIInChI=1S/C12H25NO2/c1-9(2)6-12(5)13(7-10(3)14)8-11(4)15-12/h9-11,14H,6-8H2,1-5H3
InChIKeyHKGNIWPYLNEMFZ-UHFFFAOYSA-N
XLogP1.85
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol?
The IUPAC name of 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol (CID 19994130) is 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol.
What is the SMILES notation for 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol?
The canonical SMILES for 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol is CC(C)CC1(C)OC(C)CN1CC(C)O.
What is the InChIKey of 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol?
The InChIKey is HKGNIWPYLNEMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9(2)6-12(5)13(7-10(3)14)8-11(4)15-12/h9-11,14H,6-8H2,1-5H3.
What are the key properties of 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol?
1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol has a molecular weight of 215.34 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-2-(2-methylpropyl)-1,3-oxazolidin-3-yl]propan-2-ol is sourced from PubChem (CID 19994130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).