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

C14H22N4O3 — CID 104970806

IUPAC(5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H22N4O3/c1-3-10-8-20-9(2)7-18(10)14(19)12-16-13(21-17-12)11-5-4-6-15-11/h9-11,15H,3-8H2,1-2H3
InChIKeyWIYLAADUZSOVMV-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.13
Rot. Bonds3

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

(5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (PubChem CID 104970806) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.

Molecular Properties

Compound Name(5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
PubChem CID104970806
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name(5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone
SMILESCCC1COC(C)CN1C(=O)c1noc(C2CCCN2)n1
InChIInChI=1S/C14H22N4O3/c1-3-10-8-20-9(2)7-18(10)14(19)12-16-13(21-17-12)11-5-4-6-15-11/h9-11,15H,3-8H2,1-2H3
InChIKeyWIYLAADUZSOVMV-UHFFFAOYSA-N
XLogP1.13
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The IUPAC name of (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone (CID 104970806) is (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone.
What is the SMILES notation for (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The canonical SMILES for (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is CCC1COC(C)CN1C(=O)c1noc(C2CCCN2)n1.
What is the InChIKey of (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
The InChIKey is WIYLAADUZSOVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-10-8-20-9(2)7-18(10)14(19)12-16-13(21-17-12)11-5-4-6-15-11/h9-11,15H,3-8H2,1-2H3.
What are the key properties of (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone?
(5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone has a molecular weight of 294.35 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2-methylmorpholin-4-yl)-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)methanone is sourced from PubChem (CID 104970806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).