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

C10H15N3O — CID 104900655

IUPAC3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCC1CC1c1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C10H15N3O/c1-6-5-7(6)9-12-10(14-13-9)8-3-2-4-11-8/h6-8,11H,2-5H2,1H3/t6?,7?,8-/m0/s1
InChIKeyCTZUFWJJKQEHJX-RRQHEKLDSA-N
MW193.25 g/mol
LogP1.62
Rot. Bonds2

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

3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104900655) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID104900655
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCC1CC1c1noc([C@@H]2CCCN2)n1
InChIInChI=1S/C10H15N3O/c1-6-5-7(6)9-12-10(14-13-9)8-3-2-4-11-8/h6-8,11H,2-5H2,1H3/t6?,7?,8-/m0/s1
InChIKeyCTZUFWJJKQEHJX-RRQHEKLDSA-N
XLogP1.62
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
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
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
3-(2,2-dimethylpropyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900576
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
N,N-diethyl-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-amine
CID 104900916
3-(1-propan-2-ylpyrrolidin-2-yl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115080930

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 104900655) is 3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is CC1CC1c1noc([C@@H]2CCCN2)n1.
What is the InChIKey of 3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is CTZUFWJJKQEHJX-RRQHEKLDSA-N. The full InChI is InChI=1S/C10H15N3O/c1-6-5-7(6)9-12-10(14-13-9)8-3-2-4-11-8/h6-8,11H,2-5H2,1H3/t6?,7?,8-/m0/s1.
What are the key properties of 3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 193.25 g/mol, XLogP of 1.62, 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)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104900655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).