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

C24H20FN3O4 — CID 35591142

IUPACN-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(-c2nc(-c3cccc(NC(=O)Cc4ccc(F)cc4)c3)no2)cc1OC
InChIInChI=1S/C24H20FN3O4/c1-30-20-11-8-17(14-21(20)31-2)24-27-23(28-32-24)16-4-3-5-19(13-16)26-22(29)12-15-6-9-18(25)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,26,29)
InChIKeyLEBBRAAJXFVDFT-UHFFFAOYSA-N
MW433.44 g/mol
LogP4.74
Rot. Bonds7

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

N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide (PubChem CID 35591142) has the molecular formula C24H20FN3O4 and a molecular weight of 433.44 g/mol. Its IUPAC name is N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide
PubChem CID35591142
Molecular FormulaC24H20FN3O4
Molecular Weight433.44 g/mol
Exact Mass433.14
IUPAC NameN-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1ccc(-c2nc(-c3cccc(NC(=O)Cc4ccc(F)cc4)c3)no2)cc1OC
InChIInChI=1S/C24H20FN3O4/c1-30-20-11-8-17(14-21(20)31-2)24-27-23(28-32-24)16-4-3-5-19(13-16)26-22(29)12-15-6-9-18(25)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,26,29)
InChIKeyLEBBRAAJXFVDFT-UHFFFAOYSA-N
XLogP4.74
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.44
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide (CID 35591142) is N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide is COc1ccc(-c2nc(-c3cccc(NC(=O)Cc4ccc(F)cc4)c3)no2)cc1OC.
What is the InChIKey of N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is LEBBRAAJXFVDFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O4/c1-30-20-11-8-17(14-21(20)31-2)24-27-23(28-32-24)16-4-3-5-19(13-16)26-22(29)12-15-6-9-18(25)10-7-15/h3-11,13-14H,12H2,1-2H3,(H,26,29).
What are the key properties of N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide?
N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 433.44 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 35591142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).