[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone

C13H19N3O3 — CID 56878690

IUPAC[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESC/C=C/Cc1nnc(C(=O)N2CCOC(C)(C)C2)o1
InChIInChI=1S/C13H19N3O3/c1-4-5-6-10-14-15-11(19-10)12(17)16-7-8-18-13(2,3)9-16/h4-5H,6-9H2,1-3H3/b5-4+
InChIKeyXBPJSJZTOMONFS-SNAWJCMRSA-N
MW265.31 g/mol
LogP1.44
Rot. Bonds3

About [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone

[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone (PubChem CID 56878690) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone.

Molecular Properties

Compound Name[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone
PubChem CID56878690
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone
SMILESC/C=C/Cc1nnc(C(=O)N2CCOC(C)(C)C2)o1
InChIInChI=1S/C13H19N3O3/c1-4-5-6-10-14-15-11(19-10)12(17)16-7-8-18-13(2,3)9-16/h4-5H,6-9H2,1-3H3/b5-4+
InChIKeyXBPJSJZTOMONFS-SNAWJCMRSA-N
XLogP1.44
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The IUPAC name of [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone (CID 56878690) is [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone.
What is the SMILES notation for [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The canonical SMILES for [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone is C/C=C/Cc1nnc(C(=O)N2CCOC(C)(C)C2)o1.
What is the InChIKey of [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
The InChIKey is XBPJSJZTOMONFS-SNAWJCMRSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-4-5-6-10-14-15-11(19-10)12(17)16-7-8-18-13(2,3)9-16/h4-5H,6-9H2,1-3H3/b5-4+.
What are the key properties of [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone?
[5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone has a molecular weight of 265.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(E)-but-2-enyl]-1,3,4-oxadiazol-2-yl]-(2,2-dimethylmorpholin-4-yl)methanone is sourced from PubChem (CID 56878690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).