1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone

C11H15N3O3 — CID 166257079

IUPAC1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(c2nc(C3CC3)no2)C1
InChIInChI=1S/C11H15N3O3/c1-7(15)14-4-5-16-9(6-14)11-12-10(13-17-11)8-2-3-8/h8-9H,2-6H2,1H3
InChIKeyPICSDFAGNBSJPL-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.87
Rot. Bonds2

About 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone

1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 166257079) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
PubChem CID166257079
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
SMILESCC(=O)N1CCOC(c2nc(C3CC3)no2)C1
InChIInChI=1S/C11H15N3O3/c1-7(15)14-4-5-16-9(6-14)11-12-10(13-17-11)8-2-3-8/h8-9H,2-6H2,1H3
InChIKeyPICSDFAGNBSJPL-UHFFFAOYSA-N
XLogP0.87
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone (CID 166257079) is 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone is CC(=O)N1CCOC(c2nc(C3CC3)no2)C1.
What is the InChIKey of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is PICSDFAGNBSJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(15)14-4-5-16-9(6-14)11-12-10(13-17-11)8-2-3-8/h8-9H,2-6H2,1H3.
What are the key properties of 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 237.26 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 166257079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).