2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol

C11H19N3O2 — CID 121314534

IUPAC2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESC[C@@H]1CC[C@@H](c2noc(C(C)(C)O)n2)CN1
InChIInChI=1S/C11H19N3O2/c1-7-4-5-8(6-12-7)9-13-10(16-14-9)11(2,3)15/h7-8,12,15H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyMEQYIICSPADNNJ-HTQZYQBOSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds2

About 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol

2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 121314534) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID121314534
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESC[C@@H]1CC[C@@H](c2noc(C(C)(C)O)n2)CN1
InChIInChI=1S/C11H19N3O2/c1-7-4-5-8(6-12-7)9-13-10(16-14-9)11(2,3)15/h7-8,12,15H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyMEQYIICSPADNNJ-HTQZYQBOSA-N
XLogP1.15
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 121314534) is 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol is C[C@@H]1CC[C@@H](c2noc(C(C)(C)O)n2)CN1.
What is the InChIKey of 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is MEQYIICSPADNNJ-HTQZYQBOSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7-4-5-8(6-12-7)9-13-10(16-14-9)11(2,3)15/h7-8,12,15H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol?
2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3R,6R)-6-methylpiperidin-3-yl]-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 121314534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).