N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

C23H16F3N3O3 — CID 118730576

IUPACN-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1
InChIInChI=1S/C23H16F3N3O3/c1-14(30)27-18-8-2-16(3-9-18)22-28-21(29-32-22)15-4-10-19(11-5-15)31-20-12-6-17(7-13-20)23(24,25)26/h2-13H,1H3,(H,27,30)
InChIKeyOWGATSKXPFGCGB-UHFFFAOYSA-N
MW439.39 g/mol
LogP6.17
Rot. Bonds5

About N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide

N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (PubChem CID 118730576) has the molecular formula C23H16F3N3O3 and a molecular weight of 439.39 g/mol. Its IUPAC name is N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
PubChem CID118730576
Molecular FormulaC23H16F3N3O3
Molecular Weight439.39 g/mol
Exact Mass439.11
IUPAC NameN-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1
InChIInChI=1S/C23H16F3N3O3/c1-14(30)27-18-8-2-16(3-9-18)22-28-21(29-32-22)15-4-10-19(11-5-15)31-20-12-6-17(7-13-20)23(24,25)26/h2-13H,1H3,(H,27,30)
InChIKeyOWGATSKXPFGCGB-UHFFFAOYSA-N
XLogP6.17
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.39
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The IUPAC name of N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide (CID 118730576) is N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide.
What is the SMILES notation for N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The canonical SMILES for N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)no2)cc1.
What is the InChIKey of N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
The InChIKey is OWGATSKXPFGCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16F3N3O3/c1-14(30)27-18-8-2-16(3-9-18)22-28-21(29-32-22)15-4-10-19(11-5-15)31-20-12-6-17(7-13-20)23(24,25)26/h2-13H,1H3,(H,27,30).
What are the key properties of N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide?
N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide has a molecular weight of 439.39 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[4-[4-(trifluoromethyl)phenoxy]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide is sourced from PubChem (CID 118730576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).