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

C10H19N3O2 — CID 135384684

IUPAC5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole
SMILESC[C@H]1C[C@@H](OCC2(C)N=NCO2)CCN1
InChIInChI=1S/C10H19N3O2/c1-8-5-9(3-4-11-8)14-6-10(2)13-12-7-15-10/h8-9,11H,3-7H2,1-2H3/t8-,9-,10?/m0/s1
InChIKeyMNLRBESIJCJOAT-XMCUXHSSSA-N
MW213.28 g/mol
LogP1.30
Rot. Bonds3

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

5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole (PubChem CID 135384684) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole
PubChem CID135384684
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole
SMILESC[C@H]1C[C@@H](OCC2(C)N=NCO2)CCN1
InChIInChI=1S/C10H19N3O2/c1-8-5-9(3-4-11-8)14-6-10(2)13-12-7-15-10/h8-9,11H,3-7H2,1-2H3/t8-,9-,10?/m0/s1
InChIKeyMNLRBESIJCJOAT-XMCUXHSSSA-N
XLogP1.30
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole?
The IUPAC name of 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole (CID 135384684) is 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole.
What is the SMILES notation for 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole?
The canonical SMILES for 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole is C[C@H]1C[C@@H](OCC2(C)N=NCO2)CCN1.
What is the InChIKey of 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole?
The InChIKey is MNLRBESIJCJOAT-XMCUXHSSSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-8-5-9(3-4-11-8)14-6-10(2)13-12-7-15-10/h8-9,11H,3-7H2,1-2H3/t8-,9-,10?/m0/s1.
What are the key properties of 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole?
5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole has a molecular weight of 213.28 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[[(2S,4S)-2-methylpiperidin-4-yl]oxymethyl]-2H-1,3,4-oxadiazole is sourced from PubChem (CID 135384684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).