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

C12H9F4N3O2 — CID 103765613

IUPAC2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ncno1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H9F4N3O2/c13-9-2-1-7(12(14,15)16)5-8(9)11(20)17-4-3-10-18-6-19-21-10/h1-2,5-6H,3-4H2,(H,17,20)
InChIKeyBYNKVGQDJONJJU-UHFFFAOYSA-N
MW303.21 g/mol
LogP2.20
Rot. Bonds4

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

2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide (PubChem CID 103765613) has the molecular formula C12H9F4N3O2 and a molecular weight of 303.21 g/mol. Its IUPAC name is 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide
PubChem CID103765613
Molecular FormulaC12H9F4N3O2
Molecular Weight303.21 g/mol
Exact Mass303.06
IUPAC Name2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide
SMILESO=C(NCCc1ncno1)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C12H9F4N3O2/c13-9-2-1-7(12(14,15)16)5-8(9)11(20)17-4-3-10-18-6-19-21-10/h1-2,5-6H,3-4H2,(H,17,20)
InChIKeyBYNKVGQDJONJJU-UHFFFAOYSA-N
XLogP2.20
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.21
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(3-nitro-1,2,4-triazol-1-yl)propyl]-3-(trifluoromethyl)benzamide
CID 60155558
N-[3-(3-nitro-1,2,4-triazol-1-yl)propyl]-3,5-bis(trifluoromethyl)benzamide
CID 60155559
N-ethyl-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71230950
N-(2-fluoroethyl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 71486844
4-fluoro-N-(2-(3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl)ethyl)benzamide
CID 24981333
4-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 4899741
2-fluoro-N-(3-{methyl[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]amino}-3-oxopropyl)benzamide
CID 46982150
2-fluoro-N-{3-[[(5-isopropyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]-3-oxopropyl}benzamide
CID 70767817
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-4-(trifluoromethyl)benzamide
CID 91907147
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
CID 168296996
4-fluoro-N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 177646230
N-[2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 177646527

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide (CID 103765613) is 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide is O=C(NCCc1ncno1)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide?
The InChIKey is BYNKVGQDJONJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O2/c13-9-2-1-7(12(14,15)16)5-8(9)11(20)17-4-3-10-18-6-19-21-10/h1-2,5-6H,3-4H2,(H,17,20).
What are the key properties of 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide?
2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide has a molecular weight of 303.21 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103765613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).