4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide

C10H8F3N3O2 — CID 130179772

IUPAC4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)9-15-8(16-18-9)6-3-1-5(2-4-6)7(14)17/h1-4,9H,(H2,14,17)(H,15,16)
InChIKeyWABUDOWNMSMMHP-UHFFFAOYSA-N
MW259.19 g/mol
LogP0.96
Rot. Bonds2

About 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide

4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 130179772) has the molecular formula C10H8F3N3O2 and a molecular weight of 259.19 g/mol. Its IUPAC name is 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID130179772
Molecular FormulaC10H8F3N3O2
Molecular Weight259.19 g/mol
Exact Mass259.06
IUPAC Name4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
SMILESNC(=O)c1ccc(C2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C10H8F3N3O2/c11-10(12,13)9-15-8(16-18-9)6-3-1-5(2-4-6)7(14)17/h1-4,9H,(H2,14,17)(H,15,16)
InChIKeyWABUDOWNMSMMHP-UHFFFAOYSA-N
XLogP0.96
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.19
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(-N'-hydroxycarbamimidoyl)benzamide
CID 21328277
N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide
CID 175980210
4-[Amino(hydroxyimino)methyl]benzamide
CID 73780984
N-(diaminomethylidene)-4-(3,3,3-trifluoropropyl)benzamide
CID 19601151
N-ethoxy-4-(trifluoromethyl)benzamide
CID 40081707
N-(diaminomethylidene)-4-(trifluoromethyl)benzamide
CID 53832315
4-[(E)-N'-hydroxycarbamimidoyl]-N-(3,3,3-trifluoropropyl)benzamide
CID 63227647
N-(diaminomethylidene)-4-(trifluoromethyl)benzamide;hydrochloride
CID 67604957
4-(N'-hydroxycarbamimidoyl)-N-(3,3,3-trifluoropropyl)benzamide
CID 76988386
N-[amino-[3-(trifluoromethyl)cyclobut-2-en-1-yl]methylidene]-2-fluoro-4-(trifluoromethyl)benzamide
CID 122546061
4-[N-oxo-N'-(2,2,2-trifluoroethyl)carbamimidoyl]benzamide
CID 123213679
3-[N'-[[4-(trifluoromethyl)phenyl]methyl]carbamimidoyl]benzamide
CID 123703429

Frequently Asked Questions

What is the IUPAC name of 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide (CID 130179772) is 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide is NC(=O)c1ccc(C2=NC(C(F)(F)F)ON2)cc1.
What is the InChIKey of 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is WABUDOWNMSMMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N3O2/c11-10(12,13)9-15-8(16-18-9)6-3-1-5(2-4-6)7(14)17/h1-4,9H,(H2,14,17)(H,15,16).
What are the key properties of 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide?
4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 259.19 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 130179772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).