5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole

C11H18N4O — CID 115077864

IUPAC5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCN1CCCC1c1nc(C2CCNC2)no1
InChIInChI=1S/C11H18N4O/c1-15-6-2-3-9(15)11-13-10(14-16-11)8-4-5-12-7-8/h8-9,12H,2-7H2,1H3
InChIKeyZHGDCMQSBHDIPF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.91
Rot. Bonds2

About 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole

5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 115077864) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID115077864
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCN1CCCC1c1nc(C2CCNC2)no1
InChIInChI=1S/C11H18N4O/c1-15-6-2-3-9(15)11-13-10(14-16-11)8-4-5-12-7-8/h8-9,12H,2-7H2,1H3
InChIKeyZHGDCMQSBHDIPF-UHFFFAOYSA-N
XLogP0.91
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
5-(1-methylpiperidin-3-yl)-3-piperidin-3-yl-1,2,4-oxadiazole
CID 115077691
5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 115077784
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 112680492
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
2-[3-(azetidin-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxylic acid
CID 69492114
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-sulfonamide
CID 120957246
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695
2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 115077864) is 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole is CN1CCCC1c1nc(C2CCNC2)no1.
What is the InChIKey of 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is ZHGDCMQSBHDIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-6-2-3-9(15)11-13-10(14-16-11)8-4-5-12-7-8/h8-9,12H,2-7H2,1H3.
What are the key properties of 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole?
5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 222.29 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115077864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).