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

C12H17N5O2 — CID 99857571

IUPAC3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc(CN3CCC[C@@H]3C)n2)no1
InChIInChI=1S/C12H17N5O2/c1-8-4-3-5-17(8)7-12-14-11(16-19-12)6-10-13-9(2)18-15-10/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyAEPOUZQLAFZIJG-QMMMGPOBSA-N
MW263.30 g/mol
LogP1.34
Rot. Bonds4

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

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 99857571) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID99857571
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1nc(Cc2noc(CN3CCC[C@@H]3C)n2)no1
InChIInChI=1S/C12H17N5O2/c1-8-4-3-5-17(8)7-12-14-11(16-19-12)6-10-13-9(2)18-15-10/h8H,3-7H2,1-2H3/t8-/m0/s1
InChIKeyAEPOUZQLAFZIJG-QMMMGPOBSA-N
XLogP1.34
TPSA81.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazole
CID 91651007
[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2,4-oxadiazol-3-yl]methanamine
CID 130693812
5-methyl-3-[(2-methylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 172900478
3-tert-butyl-5-[[(2R)-2-methylpiperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 94181815
[1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpiperidin-2-yl]methanamine
CID 119926025
5-[(2,6-dimethylazepan-1-yl)methyl]-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 75423129
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 60501362
3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-methyl-1,2,4-oxadiazole
CID 167874709
5-[[(2S)-2-methylpiperidin-1-yl]methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 51924350
1-[[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909685
1-[(2R)-2-[(2R)-1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 129426788
1-[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-2-yl]ethanol
CID 111106995

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole (CID 99857571) is 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1nc(Cc2noc(CN3CCC[C@@H]3C)n2)no1.
What is the InChIKey of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is AEPOUZQLAFZIJG-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-4-3-5-17(8)7-12-14-11(16-19-12)6-10-13-9(2)18-15-10/h8H,3-7H2,1-2H3/t8-/m0/s1.
What are the key properties of 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole?
3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 263.30 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-[[(2S)-2-methylpyrrolidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 99857571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).