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

C10H16N4O — CID 90488128

IUPAC3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCCC1c1nc(C2CNC2)no1
InChIInChI=1S/C10H16N4O/c1-14-4-2-3-8(14)10-12-9(13-15-10)7-5-11-6-7/h7-8,11H,2-6H2,1H3
InChIKeyQCOGZQXTECUXCZ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.52
Rot. Bonds2

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

3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 90488128) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID90488128
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCN1CCCC1c1nc(C2CNC2)no1
InChIInChI=1S/C10H16N4O/c1-14-4-2-3-8(14)10-12-9(13-15-10)7-5-11-6-7/h7-8,11H,2-6H2,1H3
InChIKeyQCOGZQXTECUXCZ-UHFFFAOYSA-N
XLogP0.52
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 90488128) is 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is CN1CCCC1c1nc(C2CNC2)no1.
What is the InChIKey of 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is QCOGZQXTECUXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-14-4-2-3-8(14)10-12-9(13-15-10)7-5-11-6-7/h7-8,11H,2-6H2,1H3.
What are the key properties of 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 208.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azetidin-3-yl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 90488128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).