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

C11H19N3O2 — CID 115080267

IUPAC1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(C2CCCCN2C)no1
InChIInChI=1S/C11H19N3O2/c1-8(15)7-10-12-11(13-16-10)9-5-3-4-6-14(9)2/h8-9,15H,3-7H2,1-2H3
InChIKeyHRQGIOWTXNICGF-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.15
Rot. Bonds3

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

1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (PubChem CID 115080267) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
PubChem CID115080267
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
SMILESCC(O)Cc1nc(C2CCCCN2C)no1
InChIInChI=1S/C11H19N3O2/c1-8(15)7-10-12-11(13-16-10)9-5-3-4-6-14(9)2/h8-9,15H,3-7H2,1-2H3
InChIKeyHRQGIOWTXNICGF-UHFFFAOYSA-N
XLogP1.15
TPSA62.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 115079949
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345119
2-[3-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081792
1-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 79974712
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-ol
CID 79666898
1-[3-(1-ethylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 115081408
1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 116808912
1-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 65391274
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-2-ol
CID 63345168
1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116808997
2-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]acetic acid
CID 115081799
1-[3-(1-propan-2-ylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 115080498

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The IUPAC name of 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol (CID 115080267) is 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is CC(O)Cc1nc(C2CCCCN2C)no1.
What is the InChIKey of 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
The InChIKey is HRQGIOWTXNICGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8(15)7-10-12-11(13-16-10)9-5-3-4-6-14(9)2/h8-9,15H,3-7H2,1-2H3.
What are the key properties of 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol?
1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol has a molecular weight of 225.29 g/mol, XLogP of 1.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylpiperidin-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol is sourced from PubChem (CID 115080267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).