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

C10H17N3O — CID 131124797

IUPAC2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@H]2CCCN[C@H]2C)o1
InChIInChI=1S/C10H17N3O/c1-3-9-12-13-10(14-9)8-5-4-6-11-7(8)2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyGQDAZIGPMICNKK-YUMQZZPRSA-N
MW195.27 g/mol
LogP1.49
Rot. Bonds2

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

2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole (PubChem CID 131124797) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole
PubChem CID131124797
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole
SMILESCCc1nnc([C@H]2CCCN[C@H]2C)o1
InChIInChI=1S/C10H17N3O/c1-3-9-12-13-10(14-9)8-5-4-6-11-7(8)2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1
InChIKeyGQDAZIGPMICNKK-YUMQZZPRSA-N
XLogP1.49
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole (CID 131124797) is 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole is CCc1nnc([C@H]2CCCN[C@H]2C)o1.
What is the InChIKey of 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole?
The InChIKey is GQDAZIGPMICNKK-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-9-12-13-10(14-9)8-5-4-6-11-7(8)2/h7-8,11H,3-6H2,1-2H3/t7-,8-/m0/s1.
What are the key properties of 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole?
2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(2S,3S)-2-methylpiperidin-3-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 131124797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).