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

C12H10F3N3O2 — CID 71230950

IUPACN-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O2/c1-2-16-10(19)8-5-3-7(4-6-8)9-17-11(20-18-9)12(13,14)15/h3-6H,2H2,1H3,(H,16,19)
InChIKeyWWCPMLUISCRKPF-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.51
Rot. Bonds3

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

N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 71230950) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID71230950
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC NameN-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
SMILESCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1
InChIInChI=1S/C12H10F3N3O2/c1-2-16-10(19)8-5-3-7(4-6-8)9-17-11(20-18-9)12(13,14)15/h3-6H,2H2,1H3,(H,16,19)
InChIKeyWWCPMLUISCRKPF-UHFFFAOYSA-N
XLogP2.51
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide (CID 71230950) is N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is CCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is WWCPMLUISCRKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-2-16-10(19)8-5-3-7(4-6-8)9-17-11(20-18-9)12(13,14)15/h3-6H,2H2,1H3,(H,16,19).
What are the key properties of N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide?
N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 285.23 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 71230950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).