3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

C12H21N3O2 — CID 106743655

IUPAC3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(C2CCNC(C)C2)n1
InChIInChI=1S/C12H21N3O2/c1-4-10(16-3)11-14-12(17-15-11)9-5-6-13-8(2)7-9/h8-10,13H,4-7H2,1-3H3
InChIKeyVLZFYOBGZIBAOE-UHFFFAOYSA-N
MW239.32 g/mol
LogP2.02
Rot. Bonds4

About 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 106743655) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID106743655
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCC(OC)c1noc(C2CCNC(C)C2)n1
InChIInChI=1S/C12H21N3O2/c1-4-10(16-3)11-14-12(17-15-11)9-5-6-13-8(2)7-9/h8-10,13H,4-7H2,1-3H3
InChIKeyVLZFYOBGZIBAOE-UHFFFAOYSA-N
XLogP2.02
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxy-2,2-dimethylpropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743668
3-[cyclopropyl(ethoxy)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743665
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116701833
(3S,5R)-5-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812910
3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743345
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 116732781
3-(3-ethyl-1,4-dithian-2-yl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743595
2-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 116732527
3-(tert-butylsulfanylmethyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743452
5-(2-methylpiperidin-4-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 106743238
[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963886
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743251

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 106743655) is 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is CCC(OC)c1noc(C2CCNC(C)C2)n1.
What is the InChIKey of 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is VLZFYOBGZIBAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-10(16-3)11-14-12(17-15-11)9-5-6-13-8(2)7-9/h8-10,13H,4-7H2,1-3H3.
What are the key properties of 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 239.32 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxypropyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106743655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).