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

C11H19N3O2 — CID 104900856

IUPAC3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOC(c1noc([C@@H]2CCCN2)n1)C(C)C
InChIInChI=1S/C11H19N3O2/c1-7(2)9(15-3)10-13-11(16-14-10)8-5-4-6-12-8/h7-9,12H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyFYYZGVMTDMKLLJ-IENPIDJESA-N
MW225.29 g/mol
LogP1.84
Rot. Bonds4

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

3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104900856) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
PubChem CID104900856
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
SMILESCOC(c1noc([C@@H]2CCCN2)n1)C(C)C
InChIInChI=1S/C11H19N3O2/c1-7(2)9(15-3)10-13-11(16-14-10)8-5-4-6-12-8/h7-9,12H,4-6H2,1-3H3/t8-,9?/m0/s1
InChIKeyFYYZGVMTDMKLLJ-IENPIDJESA-N
XLogP1.84
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-ethoxy-2-methylpropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116703281
3-(1-ethoxyethyl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832351
3-(1-methoxypropyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116701833
3-[cyclohexyl(ethoxy)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116743568
5-(azepan-2-yl)-3-(1-ethoxy-2,2-dimethylpropyl)-1,2,4-oxadiazole
CID 116704264
3-(1-methoxy-2-methylpropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116702796
[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963887
1-[5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 130991357
1-[5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 130964669
methyl 2-[(5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carbonyl)amino]propanoate
CID 104970945
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
4-propan-2-yl-2-pyrrolidin-2-yl-1,3-oxazole
CID 86276569

Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole (CID 104900856) is 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is COC(c1noc([C@@H]2CCCN2)n1)C(C)C.
What is the InChIKey of 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is FYYZGVMTDMKLLJ-IENPIDJESA-N. The full InChI is InChI=1S/C11H19N3O2/c1-7(2)9(15-3)10-13-11(16-14-10)8-5-4-6-12-8/h7-9,12H,4-6H2,1-3H3/t8-,9?/m0/s1.
What are the key properties of 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole?
3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 225.29 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxy-2-methylpropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104900856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).