4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine

C12H20N4O2 — CID 79666239

IUPAC4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCCN1CCOC(c2noc(C3CCNC3)n2)C1
InChIInChI=1S/C12H20N4O2/c1-2-16-5-6-17-10(8-16)11-14-12(18-15-11)9-3-4-13-7-9/h9-10,13H,2-8H2,1H3
InChIKeyIBFAZEFEBCQIQM-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.54
Rot. Bonds3

About 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine

4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine (PubChem CID 79666239) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine.

Molecular Properties

Compound Name4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
PubChem CID79666239
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
SMILESCCN1CCOC(c2noc(C3CCNC3)n2)C1
InChIInChI=1S/C12H20N4O2/c1-2-16-5-6-17-10(8-16)11-14-12(18-15-11)9-3-4-13-7-9/h9-10,13H,2-8H2,1H3
InChIKeyIBFAZEFEBCQIQM-UHFFFAOYSA-N
XLogP0.54
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 79077245
2-[5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-1,2,4-oxadiazol-3-yl]-4-ethylmorpholine
CID 102894735
(3S,5R)-5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812856
2-(5-piperidin-3-yl-1,2,4-oxadiazol-3-yl)-4-propan-2-ylmorpholine
CID 79657123
4-ethyl-2-[5-(piperidin-4-yloxymethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 79665077
5-(1-methylpyrrolidin-3-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115077005
5-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]piperazin-2-one
CID 107436463
2-[5-(azetidin-3-yl)-1,2,4-oxadiazol-3-yl]-4-propan-2-ylmorpholine
CID 79657282
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropan-1-amine
CID 79666735
5-(1-ethylpiperidin-2-yl)-3-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115078020
1-[3-(4-ethylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 79665328
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine?
The IUPAC name of 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine (CID 79666239) is 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine.
What is the SMILES notation for 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine?
The canonical SMILES for 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine is CCN1CCOC(c2noc(C3CCNC3)n2)C1.
What is the InChIKey of 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine?
The InChIKey is IBFAZEFEBCQIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-16-5-6-17-10(8-16)11-14-12(18-15-11)9-3-4-13-7-9/h9-10,13H,2-8H2,1H3.
What are the key properties of 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine?
4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine has a molecular weight of 252.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(5-pyrrolidin-3-yl-1,2,4-oxadiazol-3-yl)morpholine is sourced from PubChem (CID 79666239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).