2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol

C10H17N3O2 — CID 63027163

IUPAC2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1nc(C2CCCNC2)no1
InChIInChI=1S/C10H17N3O2/c1-10(2,14)9-12-8(13-15-9)7-4-3-5-11-6-7/h7,11,14H,3-6H2,1-2H3
InChIKeyAGERJKGIHCMEMY-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.76
Rot. Bonds2

About 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol

2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 63027163) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID63027163
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC(C)(O)c1nc(C2CCCNC2)no1
InChIInChI=1S/C10H17N3O2/c1-10(2,14)9-12-8(13-15-9)7-4-3-5-11-6-7/h7,11,14H,3-6H2,1-2H3
InChIKeyAGERJKGIHCMEMY-UHFFFAOYSA-N
XLogP0.76
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 63027163) is 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is CC(C)(O)c1nc(C2CCCNC2)no1.
What is the InChIKey of 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is AGERJKGIHCMEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-10(2,14)9-12-8(13-15-9)7-4-3-5-11-6-7/h7,11,14H,3-6H2,1-2H3.
What are the key properties of 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 211.26 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 63027163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).