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

C11H17N3O — CID 104915001

IUPAC3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESCC1CC1c1noc([C@@H]2CCCCN2)n1
InChIInChI=1S/C11H17N3O/c1-7-6-8(7)10-13-11(15-14-10)9-4-2-3-5-12-9/h7-9,12H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyGODDJNPDZIOVOH-HACHORDNSA-N
MW207.28 g/mol
LogP2.01
Rot. Bonds2

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

3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104915001) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID104915001
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESCC1CC1c1noc([C@@H]2CCCCN2)n1
InChIInChI=1S/C11H17N3O/c1-7-6-8(7)10-13-11(15-14-10)9-4-2-3-5-12-9/h7-9,12H,2-6H2,1H3/t7?,8?,9-/m0/s1
InChIKeyGODDJNPDZIOVOH-HACHORDNSA-N
XLogP2.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
5-(azepan-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65424042
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413684
N,N-diethyl-5-piperidin-2-yl-1,2,4-oxadiazol-3-amine
CID 116806371
5-piperidin-2-yl-3-(1-propan-2-ylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 115080796
5-(azepan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 116808240
5-(azocan-2-yl)-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
CID 114239831

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole (CID 104915001) is 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is CC1CC1c1noc([C@@H]2CCCCN2)n1.
What is the InChIKey of 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is GODDJNPDZIOVOH-HACHORDNSA-N. The full InChI is InChI=1S/C11H17N3O/c1-7-6-8(7)10-13-11(15-14-10)9-4-2-3-5-12-9/h7-9,12H,2-6H2,1H3/t7?,8?,9-/m0/s1.
What are the key properties of 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole?
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104915001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).