2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide

C10H10BrN3O5 — CID 3757284

IUPAC2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cn1nc(-c2ccc(Br)o2)oc1=O
InChIInChI=1S/C10H10BrN3O5/c1-13(17-2)8(15)5-14-10(16)19-9(12-14)6-3-4-7(11)18-6/h3-4H,5H2,1-2H3
InChIKeyPDKKKACPRLXIJL-UHFFFAOYSA-N
MW332.11 g/mol
LogP0.88
Rot. Bonds4

About 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide

2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide (PubChem CID 3757284) has the molecular formula C10H10BrN3O5 and a molecular weight of 332.11 g/mol. Its IUPAC name is 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide
PubChem CID3757284
Molecular FormulaC10H10BrN3O5
Molecular Weight332.11 g/mol
Exact Mass330.98
IUPAC Name2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide
SMILESCON(C)C(=O)Cn1nc(-c2ccc(Br)o2)oc1=O
InChIInChI=1S/C10H10BrN3O5/c1-13(17-2)8(15)5-14-10(16)19-9(12-14)6-3-4-7(11)18-6/h3-4H,5H2,1-2H3
InChIKeyPDKKKACPRLXIJL-UHFFFAOYSA-N
XLogP0.88
TPSA90.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.11
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide?
The IUPAC name of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide (CID 3757284) is 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide?
The canonical SMILES for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide is CON(C)C(=O)Cn1nc(-c2ccc(Br)o2)oc1=O.
What is the InChIKey of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide?
The InChIKey is PDKKKACPRLXIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O5/c1-13(17-2)8(15)5-14-10(16)19-9(12-14)6-3-4-7(11)18-6/h3-4H,5H2,1-2H3.
What are the key properties of 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide?
2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide has a molecular weight of 332.11 g/mol, XLogP of 0.88, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-bromofuran-2-yl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methoxy-N-methylacetamide is sourced from PubChem (CID 3757284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).