ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate

C6H8FN3O3 — CID 14875820

IUPACethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(NF)no1
InChIInChI=1S/C6H8FN3O3/c1-2-12-5(11)3-4-8-6(9-7)10-13-4/h2-3H2,1H3,(H,9,10)
InChIKeyBYJAAUAFNOVZKN-UHFFFAOYSA-N
MW189.15 g/mol
LogP0.47
Rot. Bonds4

About ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate

ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate (PubChem CID 14875820) has the molecular formula C6H8FN3O3 and a molecular weight of 189.15 g/mol. Its IUPAC name is ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate
PubChem CID14875820
Molecular FormulaC6H8FN3O3
Molecular Weight189.15 g/mol
Exact Mass189.05
IUPAC Nameethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate
SMILESCCOC(=O)Cc1nc(NF)no1
InChIInChI=1S/C6H8FN3O3/c1-2-12-5(11)3-4-8-6(9-7)10-13-4/h2-3H2,1H3,(H,9,10)
InChIKeyBYJAAUAFNOVZKN-UHFFFAOYSA-N
XLogP0.47
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.15
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate?
The IUPAC name of ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate (CID 14875820) is ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate.
What is the SMILES notation for ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate?
The canonical SMILES for ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate is CCOC(=O)Cc1nc(NF)no1.
What is the InChIKey of ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate?
The InChIKey is BYJAAUAFNOVZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FN3O3/c1-2-12-5(11)3-4-8-6(9-7)10-13-4/h2-3H2,1H3,(H,9,10).
What are the key properties of ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate?
ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate has a molecular weight of 189.15 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(fluoroamino)-1,2,4-oxadiazol-5-yl]acetate is sourced from PubChem (CID 14875820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).