[(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate

C10H11F3N2O4 — CID 141051431

IUPAC[(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate
SMILESCc1noc(=O)n1C/C=C\CCOC(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c1-7-14-19-9(17)15(7)5-3-2-4-6-18-8(16)10(11,12)13/h2-3H,4-6H2,1H3/b3-2-
InChIKeyUDZWTPYITXQICD-IHWYPQMZSA-N
MW280.20 g/mol
LogP1.20
Rot. Bonds5

About [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate

[(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate (PubChem CID 141051431) has the molecular formula C10H11F3N2O4 and a molecular weight of 280.20 g/mol. Its IUPAC name is [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate
PubChem CID141051431
Molecular FormulaC10H11F3N2O4
Molecular Weight280.20 g/mol
Exact Mass280.07
IUPAC Name[(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate
SMILESCc1noc(=O)n1C/C=C\CCOC(=O)C(F)(F)F
InChIInChI=1S/C10H11F3N2O4/c1-7-14-19-9(17)15(7)5-3-2-4-6-18-8(16)10(11,12)13/h2-3H,4-6H2,1H3/b3-2-
InChIKeyUDZWTPYITXQICD-IHWYPQMZSA-N
XLogP1.20
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.20
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate?
The IUPAC name of [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate (CID 141051431) is [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate is Cc1noc(=O)n1C/C=C\CCOC(=O)C(F)(F)F.
What is the InChIKey of [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate?
The InChIKey is UDZWTPYITXQICD-IHWYPQMZSA-N. The full InChI is InChI=1S/C10H11F3N2O4/c1-7-14-19-9(17)15(7)5-3-2-4-6-18-8(16)10(11,12)13/h2-3H,4-6H2,1H3/b3-2-.
What are the key properties of [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate?
[(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate has a molecular weight of 280.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(3-methyl-5-oxo-1,2,4-oxadiazol-4-yl)pent-3-enyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 141051431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).