3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole

C8H13N3O2 — CID 66246994

IUPAC3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESc1nc(CO[C@H]2CCCNC2)no1
InChIInChI=1S/C8H13N3O2/c1-2-7(4-9-3-1)12-5-8-10-6-13-11-8/h6-7,9H,1-5H2/t7-/m0/s1
InChIKeyMOCQHECYPYBLKR-ZETCQYMHSA-N
MW183.21 g/mol
LogP0.34
Rot. Bonds3

About 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole

3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (PubChem CID 66246994) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
PubChem CID66246994
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole
SMILESc1nc(CO[C@H]2CCCNC2)no1
InChIInChI=1S/C8H13N3O2/c1-2-7(4-9-3-1)12-5-8-10-6-13-11-8/h6-7,9H,1-5H2/t7-/m0/s1
InChIKeyMOCQHECYPYBLKR-ZETCQYMHSA-N
XLogP0.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole (CID 66246994) is 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is c1nc(CO[C@H]2CCCNC2)no1.
What is the InChIKey of 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
The InChIKey is MOCQHECYPYBLKR-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-7(4-9-3-1)12-5-8-10-6-13-11-8/h6-7,9H,1-5H2/t7-/m0/s1.
What are the key properties of 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole?
3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole has a molecular weight of 183.21 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-piperidin-3-yl]oxymethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 66246994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).