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

C8H13N3O — CID 86314640

IUPAC2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H]2CCCCN2)o1
InChIInChI=1S/C8H13N3O/c1-6-10-11-8(12-6)7-4-2-3-5-9-7/h7,9H,2-5H2,1H3/t7-/m0/s1
InChIKeyZKWQDFLBFZKITJ-ZETCQYMHSA-N
MW167.21 g/mol
LogP1.19
Rot. Bonds1

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

2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole (PubChem CID 86314640) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
PubChem CID86314640
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
SMILESCc1nnc([C@@H]2CCCCN2)o1
InChIInChI=1S/C8H13N3O/c1-6-10-11-8(12-6)7-4-2-3-5-9-7/h7,9H,2-5H2,1H3/t7-/m0/s1
InChIKeyZKWQDFLBFZKITJ-ZETCQYMHSA-N
XLogP1.19
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole (CID 86314640) is 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole is Cc1nnc([C@@H]2CCCCN2)o1.
What is the InChIKey of 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole?
The InChIKey is ZKWQDFLBFZKITJ-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H13N3O/c1-6-10-11-8(12-6)7-4-2-3-5-9-7/h7,9H,2-5H2,1H3/t7-/m0/s1.
What are the key properties of 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole?
2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole has a molecular weight of 167.21 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 86314640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).