N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide

C10H7F3N4O — CID 123220878

IUPACN'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\c1cccc(C(F)(F)F)c1)c1cnon1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-2-1-3-7(4-6)16-9(14)8-5-15-18-17-8/h1-5H,(H2,14,16)
InChIKeyPWGNZUUJDLTEOU-UHFFFAOYSA-N
MW256.19 g/mol
LogP2.13
Rot. Bonds2

About N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide

N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 123220878) has the molecular formula C10H7F3N4O and a molecular weight of 256.19 g/mol. Its IUPAC name is N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound NameN'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID123220878
Molecular FormulaC10H7F3N4O
Molecular Weight256.19 g/mol
Exact Mass256.06
IUPAC NameN'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide
SMILESN/C(=N\c1cccc(C(F)(F)F)c1)c1cnon1
InChIInChI=1S/C10H7F3N4O/c11-10(12,13)6-2-1-3-7(4-6)16-9(14)8-5-15-18-17-8/h1-5H,(H2,14,16)
InChIKeyPWGNZUUJDLTEOU-UHFFFAOYSA-N
XLogP2.13
TPSA77.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.19
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide (CID 123220878) is N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide is N/C(=N\c1cccc(C(F)(F)F)c1)c1cnon1.
What is the InChIKey of N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is PWGNZUUJDLTEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O/c11-10(12,13)6-2-1-3-7(4-6)16-9(14)8-5-15-18-17-8/h1-5H,(H2,14,16).
What are the key properties of N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide?
N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 256.19 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(trifluoromethyl)phenyl]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 123220878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).