1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol

C13H22N2O2 — CID 115085086

IUPAC1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol
SMILESCCN1CCC(c2ncc(CC(C)O)o2)CC1
InChIInChI=1S/C13H22N2O2/c1-3-15-6-4-11(5-7-15)13-14-9-12(17-13)8-10(2)16/h9-11,16H,3-8H2,1-2H3
InChIKeyDNRXTNVNXRCFKT-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.80
Rot. Bonds4

About 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol

1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol (PubChem CID 115085086) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol
PubChem CID115085086
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol
SMILESCCN1CCC(c2ncc(CC(C)O)o2)CC1
InChIInChI=1S/C13H22N2O2/c1-3-15-6-4-11(5-7-15)13-14-9-12(17-13)8-10(2)16/h9-11,16H,3-8H2,1-2H3
InChIKeyDNRXTNVNXRCFKT-UHFFFAOYSA-N
XLogP1.80
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol (CID 115085086) is 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol is CCN1CCC(c2ncc(CC(C)O)o2)CC1.
What is the InChIKey of 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol?
The InChIKey is DNRXTNVNXRCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-15-6-4-11(5-7-15)13-14-9-12(17-13)8-10(2)16/h9-11,16H,3-8H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol?
1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol has a molecular weight of 238.33 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpiperidin-4-yl)-1,3-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 115085086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).