1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol

C13H22N2O2 — CID 115085814

IUPAC1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCCN2C(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-9(2)15-7-5-4-6-11(15)13-14-8-12(17-13)10(3)16/h8-11,16H,4-7H2,1-3H3
InChIKeyREIMVNNYSJBATI-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.66
Rot. Bonds3

About 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol

1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol (PubChem CID 115085814) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol.

Molecular Properties

Compound Name1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol
PubChem CID115085814
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol
SMILESCC(O)c1cnc(C2CCCCN2C(C)C)o1
InChIInChI=1S/C13H22N2O2/c1-9(2)15-7-5-4-6-11(15)13-14-8-12(17-13)10(3)16/h8-11,16H,4-7H2,1-3H3
InChIKeyREIMVNNYSJBATI-UHFFFAOYSA-N
XLogP2.66
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol?
The IUPAC name of 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol (CID 115085814) is 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol.
What is the SMILES notation for 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol?
The canonical SMILES for 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol is CC(O)c1cnc(C2CCCCN2C(C)C)o1.
What is the InChIKey of 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol?
The InChIKey is REIMVNNYSJBATI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(2)15-7-5-4-6-11(15)13-14-8-12(17-13)10(3)16/h8-11,16H,4-7H2,1-3H3.
What are the key properties of 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol?
1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-propan-2-ylpiperidin-2-yl)-1,3-oxazol-5-yl]ethanol is sourced from PubChem (CID 115085814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).