5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride

C10H18ClN3O2 — CID 135260654

IUPAC5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1nc(CO[C@H]2CCN[C@@H](C)C2)no1.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-7-5-9(3-4-11-7)14-6-10-12-8(2)15-13-10;/h7,9,11H,3-6H2,1-2H3;1H/t7-,9-;/m0./s1
InChIKeyUJHDXLNMVJPUBI-KUSKTZOESA-N
MW247.73 g/mol
LogP1.46
Rot. Bonds3

About 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride

5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 135260654) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride
PubChem CID135260654
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride
SMILESCc1nc(CO[C@H]2CCN[C@@H](C)C2)no1.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-7-5-9(3-4-11-7)14-6-10-12-8(2)15-13-10;/h7,9,11H,3-6H2,1-2H3;1H/t7-,9-;/m0./s1
InChIKeyUJHDXLNMVJPUBI-KUSKTZOESA-N
XLogP1.46
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride (CID 135260654) is 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride is Cc1nc(CO[C@H]2CCN[C@@H](C)C2)no1.Cl.
What is the InChIKey of 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is UJHDXLNMVJPUBI-KUSKTZOESA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c1-7-5-9(3-4-11-7)14-6-10-12-8(2)15-13-10;/h7,9,11H,3-6H2,1-2H3;1H/t7-,9-;/m0./s1.
What are the key properties of 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride?
5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 135260654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).