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

C12H23N3O2 — CID 145069755

IUPACethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC.CC(C)(O)c1nc(C2CCCNC2)no1
InChIInChI=1S/C10H17N3O2.C2H6/c1-10(2,14)9-12-8(13-15-9)7-4-3-5-11-6-7;1-2/h7,11,14H,3-6H2,1-2H3;1-2H3
InChIKeyGBIGFWACSFEHQE-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.79
Rot. Bonds2

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

ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (PubChem CID 145069755) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
PubChem CID145069755
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Nameethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
SMILESCC.CC(C)(O)c1nc(C2CCCNC2)no1
InChIInChI=1S/C10H17N3O2.C2H6/c1-10(2,14)9-12-8(13-15-9)7-4-3-5-11-6-7;1-2/h7,11,14H,3-6H2,1-2H3;1-2H3
InChIKeyGBIGFWACSFEHQE-UHFFFAOYSA-N
XLogP1.79
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The IUPAC name of ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol (CID 145069755) is ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol.
What is the SMILES notation for ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The canonical SMILES for ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is CC.CC(C)(O)c1nc(C2CCCNC2)no1.
What is the InChIKey of ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
The InChIKey is GBIGFWACSFEHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.C2H6/c1-10(2,14)9-12-8(13-15-9)7-4-3-5-11-6-7;1-2/h7,11,14H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol?
ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 1.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-piperidin-3-yl-1,2,4-oxadiazol-5-yl)propan-2-ol is sourced from PubChem (CID 145069755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).