5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde

C10H6F3N3O3 — CID 143766470

IUPAC5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=Cc1nnc(Nc2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)19-7-3-1-2-6(4-7)14-9-16-15-8(5-17)18-9/h1-5H,(H,14,16)
InChIKeyWOFWNHXQJLEEND-UHFFFAOYSA-N
MW273.17 g/mol
LogP2.52
Rot. Bonds4

About 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde

5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde (PubChem CID 143766470) has the molecular formula C10H6F3N3O3 and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde
PubChem CID143766470
Molecular FormulaC10H6F3N3O3
Molecular Weight273.17 g/mol
Exact Mass273.04
IUPAC Name5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde
SMILESO=Cc1nnc(Nc2cccc(OC(F)(F)F)c2)o1
InChIInChI=1S/C10H6F3N3O3/c11-10(12,13)19-7-3-1-2-6(4-7)14-9-16-15-8(5-17)18-9/h1-5H,(H,14,16)
InChIKeyWOFWNHXQJLEEND-UHFFFAOYSA-N
XLogP2.52
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-N,2-N-bis[3-(trifluoromethoxy)phenyl]benzene-1,2-diamine
CID 19351987
6-chloro-N-[3-(trifluoromethoxy)phenyl]pyridazin-3-amine
CID 43151729
4-chloro-6-[3-(trifluoromethoxy)anilino]pyrimidine-5-carbaldehyde
CID 66366312
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
5-[2-(2-pyridin-4-ylethyl)-3-pyridinyl]-N-[3-(trifluoromethoxy)phenyl]-1,3,4-oxadiazol-2-amine
CID 23644886
5-[3-(trifluoromethoxy)anilino]furan-2-carboxylic acid
CID 62206357
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
methanamine;N-[3-(trifluoromethoxy)phenyl]methanethioamide
CID 156795790
2,2,2-trifluoro-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 62489908
2-N-[3-(trifluoromethoxy)phenyl]pyridine-2,3-diamine
CID 29067513
3-bromo-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 63462667
2-methyl-4-N-[3-(trifluoromethoxy)phenyl]benzene-1,4-diamine
CID 43436320

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde?
The IUPAC name of 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde (CID 143766470) is 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde.
What is the SMILES notation for 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde?
The canonical SMILES for 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde is O=Cc1nnc(Nc2cccc(OC(F)(F)F)c2)o1.
What is the InChIKey of 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde?
The InChIKey is WOFWNHXQJLEEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3N3O3/c11-10(12,13)19-7-3-1-2-6(4-7)14-9-16-15-8(5-17)18-9/h1-5H,(H,14,16).
What are the key properties of 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde?
5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde has a molecular weight of 273.17 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethoxy)anilino]-1,3,4-oxadiazole-2-carbaldehyde is sourced from PubChem (CID 143766470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).