4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine

C11H18N4O2 — CID 116807444

IUPAC4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC1CNCC1c1nc(N2CCOCC2)no1
InChIInChI=1S/C11H18N4O2/c1-8-6-12-7-9(8)10-13-11(14-17-10)15-2-4-16-5-3-15/h8-9,12H,2-7H2,1H3
InChIKeyNAJYWWCJILLOGF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.23
Rot. Bonds2

About 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine

4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 116807444) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID116807444
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESCC1CNCC1c1nc(N2CCOCC2)no1
InChIInChI=1S/C11H18N4O2/c1-8-6-12-7-9(8)10-13-11(14-17-10)15-2-4-16-5-3-15/h8-9,12H,2-7H2,1H3
InChIKeyNAJYWWCJILLOGF-UHFFFAOYSA-N
XLogP0.23
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine (CID 116807444) is 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine is CC1CNCC1c1nc(N2CCOCC2)no1.
What is the InChIKey of 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is NAJYWWCJILLOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-8-6-12-7-9(8)10-13-11(14-17-10)15-2-4-16-5-3-15/h8-9,12H,2-7H2,1H3.
What are the key properties of 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine?
4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 238.29 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 116807444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).