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

C11H10F3N3O2 — CID 139383755

IUPAC4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CC2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)10-16-8(17-19-10)5-6-1-3-7(4-2-6)9(15)18/h1-4,10H,5H2,(H2,15,18)(H,16,17)
InChIKeyLLNQBTNFMNVMQG-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.15
Rot. Bonds3

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

4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide (PubChem CID 139383755) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide
PubChem CID139383755
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide
SMILESNC(=O)c1ccc(CC2=NC(C(F)(F)F)ON2)cc1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)10-16-8(17-19-10)5-6-1-3-7(4-2-6)9(15)18/h1-4,10H,5H2,(H2,15,18)(H,16,17)
InChIKeyLLNQBTNFMNVMQG-UHFFFAOYSA-N
XLogP1.15
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxy-2-pyridinylidene)-4-(trifluoromethyl)benzamide
CID 175980210
N-(diaminomethylidene)-4-(3,3,3-trifluoropropyl)benzamide;hydrochloride
CID 19601150
N-(diaminomethylidene)-4-(3,3,3-trifluoropropyl)benzamide
CID 19601151
N-(diaminomethylidene)-4-(trifluoromethyl)benzamide
CID 53832315
N-(1-aminoethylidene)-3-(trifluoromethyl)benzamide
CID 89232262
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
N-(diaminomethylidene)-4-(1,1-difluoroethyl)benzamide
CID 123491990
4-[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]benzamide
CID 130179772
3-fluoro-4-formyl-N-hydroxy-N'-methylbenzenecarboximidamide
CID 138612158
3-fluoro-4-formyl-N-methoxy-N'-methylbenzenecarboximidamide
CID 138612160
2-[4-[5-(Trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 139383369

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The IUPAC name of 4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide (CID 139383755) is 4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide is NC(=O)c1ccc(CC2=NC(C(F)(F)F)ON2)cc1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide?
The InChIKey is LLNQBTNFMNVMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)10-16-8(17-19-10)5-6-1-3-7(4-2-6)9(15)18/h1-4,10H,5H2,(H2,15,18)(H,16,17).
What are the key properties of 4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide?
4-[[5-(trifluoromethyl)-2,5-dihydro-1,2,4-oxadiazol-3-yl]methyl]benzamide has a molecular weight of 273.21 g/mol, XLogP of 1.15, 3 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]methyl]benzamide is sourced from PubChem (CID 139383755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).