N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide

C17H12F3N3O2 — CID 166213399

IUPACN-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2nc(CC(F)(F)F)no2)cc1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)10-14-22-16(25-23-14)12-8-6-11(7-9-12)15(24)21-13-4-2-1-3-5-13/h1-9H,10H2,(H,21,24)
InChIKeyYSXCLPRHRVQKRP-UHFFFAOYSA-N
MW347.30 g/mol
LogP4.09
Rot. Bonds4

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

N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 166213399) has the molecular formula C17H12F3N3O2 and a molecular weight of 347.30 g/mol. Its IUPAC name is N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID166213399
Molecular FormulaC17H12F3N3O2
Molecular Weight347.30 g/mol
Exact Mass347.09
IUPAC NameN-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESO=C(Nc1ccccc1)c1ccc(-c2nc(CC(F)(F)F)no2)cc1
InChIInChI=1S/C17H12F3N3O2/c18-17(19,20)10-14-22-16(25-23-14)12-8-6-11(7-9-12)15(24)21-13-4-2-1-3-5-13/h1-9H,10H2,(H,21,24)
InChIKeyYSXCLPRHRVQKRP-UHFFFAOYSA-N
XLogP4.09
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.30
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-hydroxy-4-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 135358206
[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 61392982
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-fluorobenzamide
CID 50747838
N-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenyl]-2-methylbenzamide
CID 50747779
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
4-(3-ethyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 42553350
2-[4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]phenyl]ethanamine
CID 61392809
4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91907246
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 60533242
N-[4-(phenylcarbamoylamino)phenyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24676924

Frequently Asked Questions

What is the IUPAC name of N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 166213399) is N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide is O=C(Nc1ccccc1)c1ccc(-c2nc(CC(F)(F)F)no2)cc1.
What is the InChIKey of N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is YSXCLPRHRVQKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O2/c18-17(19,20)10-14-22-16(25-23-14)12-8-6-11(7-9-12)15(24)21-13-4-2-1-3-5-13/h1-9H,10H2,(H,21,24).
What are the key properties of N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 347.30 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-4-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 166213399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).