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

C10H17N3O2 — CID 135260655

IUPAC5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
SMILESCc1nc(CO[C@H]2CCN[C@@H](C)C2)no1
InChIInChI=1S/C10H17N3O2/c1-7-5-9(3-4-11-7)14-6-10-12-8(2)15-13-10/h7,9,11H,3-6H2,1-2H3/t7-,9-/m0/s1
InChIKeyWPUHLMKTBDYLEZ-CBAPKCEASA-N
MW211.26 g/mol
LogP1.04
Rot. Bonds3

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

5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 135260655) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID135260655
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole
SMILESCc1nc(CO[C@H]2CCN[C@@H](C)C2)no1
InChIInChI=1S/C10H17N3O2/c1-7-5-9(3-4-11-7)14-6-10-12-8(2)15-13-10/h7,9,11H,3-6H2,1-2H3/t7-,9-/m0/s1
InChIKeyWPUHLMKTBDYLEZ-CBAPKCEASA-N
XLogP1.04
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.04
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?
The IUPAC name of 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole (CID 135260655) is 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole is Cc1nc(CO[C@H]2CCN[C@@H](C)C2)no1.
What is the InChIKey of 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is WPUHLMKTBDYLEZ-CBAPKCEASA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-5-9(3-4-11-7)14-6-10-12-8(2)15-13-10/h7,9,11H,3-6H2,1-2H3/t7-,9-/m0/s1.
What are the key properties of 5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole?
5-methyl-3-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-1,2,4-oxadiazole has a molecular weight of 211.26 g/mol, XLogP of 1.04, 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 is sourced from PubChem (CID 135260655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).