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

C11H18N4O2 — CID 116807598

IUPAC4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC1CNC(Cc2nc(N3CCOCC3)no2)C1
InChIInChI=1S/C11H18N4O2/c1-2-9(12-3-1)8-10-13-11(14-17-10)15-4-6-16-7-5-15/h9,12H,1-8H2
InChIKeyORPXEFXOTGOCLJ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.20
Rot. Bonds3

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

4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (PubChem CID 116807598) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
PubChem CID116807598
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
SMILESC1CNC(Cc2nc(N3CCOCC3)no2)C1
InChIInChI=1S/C11H18N4O2/c1-2-9(12-3-1)8-10-13-11(14-17-10)15-4-6-16-7-5-15/h9,12H,1-8H2
InChIKeyORPXEFXOTGOCLJ-UHFFFAOYSA-N
XLogP0.20
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methylpiperazin-1-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 116807868
3-piperidin-1-yl-5-(thiomorpholin-3-ylmethyl)-1,2,4-oxadiazole
CID 116807073
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methanol
CID 116808962
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898
5-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 82007711
3-propyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371732
1-cyclopropyl-N-[(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 116807359
N-ethyl-N-methyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-amine
CID 116808442
2-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]acetic acid
CID 115078262
3-(ethylsulfanylmethyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65130998
4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 116807436

Frequently Asked Questions

What is the IUPAC name of 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The IUPAC name of 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine (CID 116807598) is 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The canonical SMILES for 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is C1CNC(Cc2nc(N3CCOCC3)no2)C1.
What is the InChIKey of 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
The InChIKey is ORPXEFXOTGOCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-2-9(12-3-1)8-10-13-11(14-17-10)15-4-6-16-7-5-15/h9,12H,1-8H2.
What are the key properties of 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine?
4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine has a molecular weight of 238.29 g/mol, XLogP of 0.20, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazol-3-yl]morpholine is sourced from PubChem (CID 116807598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).