4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide

C23H24F3N3O2 — CID 24949375

IUPAC4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)(C)c1ccc(-c2noc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C23H24F3N3O2/c1-22(2,3)16-12-10-15(11-13-16)21-28-20(31-29-21)9-5-8-19(30)27-18-7-4-6-17(14-18)23(24,25)26/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,27,30)
InChIKeyPBJSVEFXCPGKMP-UHFFFAOYSA-N
MW431.46 g/mol
LogP6.01
Rot. Bonds6

About 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide

4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide (PubChem CID 24949375) has the molecular formula C23H24F3N3O2 and a molecular weight of 431.46 g/mol. Its IUPAC name is 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
PubChem CID24949375
Molecular FormulaC23H24F3N3O2
Molecular Weight431.46 g/mol
Exact Mass431.18
IUPAC Name4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
SMILESCC(C)(C)c1ccc(-c2noc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1
InChIInChI=1S/C23H24F3N3O2/c1-22(2,3)16-12-10-15(11-13-16)21-28-20(31-29-21)9-5-8-19(30)27-18-7-4-6-17(14-18)23(24,25)26/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,27,30)
InChIKeyPBJSVEFXCPGKMP-UHFFFAOYSA-N
XLogP6.01
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.46
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]propanamide
CID 100759554
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-ethoxyphenyl)butanamide
CID 17101451
N-(3-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160339
N-(4-tert-butylphenyl)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 9192064
4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101291
N-(4-tert-butylphenyl)-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 17436492
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylbutanamide
CID 17101498
N,N'-bis[3-(trifluoromethyl)phenyl]hexanediamide
CID 5058568
4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-propoxy-5-(trifluoromethyl)phenyl]butanamide
CID 38905539
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263
N-[3-[(dimethylamino)methyl]phenyl]-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 33129189
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]propanamide
CID 100756022

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide (CID 24949375) is 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide is CC(C)(C)c1ccc(-c2noc(CCCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1.
What is the InChIKey of 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
The InChIKey is PBJSVEFXCPGKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2/c1-22(2,3)16-12-10-15(11-13-16)21-28-20(31-29-21)9-5-8-19(30)27-18-7-4-6-17(14-18)23(24,25)26/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,27,30).
What are the key properties of 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide?
4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide has a molecular weight of 431.46 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-[3-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 24949375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).