4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide

C7H9F3N4O3 — CID 55260120

IUPAC4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H9F3N4O3/c8-7(9,10)3-16-2-1-12-6(15)4-5(11)14-17-13-4/h1-3H2,(H2,11,14)(H,12,15)
InChIKeyZAEPQTLFDYQPQH-UHFFFAOYSA-N
MW254.17 g/mol
LogP-0.04
Rot. Bonds5

About 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide

4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide (PubChem CID 55260120) has the molecular formula C7H9F3N4O3 and a molecular weight of 254.17 g/mol. Its IUPAC name is 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide
PubChem CID55260120
Molecular FormulaC7H9F3N4O3
Molecular Weight254.17 g/mol
Exact Mass254.06
IUPAC Name4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NCCOCC(F)(F)F
InChIInChI=1S/C7H9F3N4O3/c8-7(9,10)3-16-2-1-12-6(15)4-5(11)14-17-13-4/h1-3H2,(H2,11,14)(H,12,15)
InChIKeyZAEPQTLFDYQPQH-UHFFFAOYSA-N
XLogP-0.04
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide (CID 55260120) is 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NCCOCC(F)(F)F.
What is the InChIKey of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is ZAEPQTLFDYQPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O3/c8-7(9,10)3-16-2-1-12-6(15)4-5(11)14-17-13-4/h1-3H2,(H2,11,14)(H,12,15).
What are the key properties of 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 254.17 g/mol, XLogP of -0.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 55260120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).