N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide

C24H22FN3O2 — CID 11177142

IUPACN-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide
SMILESCCNC(=O)c1ccc(C2=NOC(c3ccc(F)cc3)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22FN3O2/c1-3-26-23(29)18-8-6-17(7-9-18)22-27-30-24(19-10-12-20(25)13-11-19)28(22)21-14-4-16(2)5-15-21/h4-15,24H,3H2,1-2H3,(H,26,29)
InChIKeyLKWPBZYPNLKWRI-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.78
Rot. Bonds5

About N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide

N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide (PubChem CID 11177142) has the molecular formula C24H22FN3O2 and a molecular weight of 403.46 g/mol. Its IUPAC name is N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide
PubChem CID11177142
Molecular FormulaC24H22FN3O2
Molecular Weight403.46 g/mol
Exact Mass403.17
IUPAC NameN-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide
SMILESCCNC(=O)c1ccc(C2=NOC(c3ccc(F)cc3)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C24H22FN3O2/c1-3-26-23(29)18-8-6-17(7-9-18)22-27-30-24(19-10-12-20(25)13-11-19)28(22)21-14-4-16(2)5-15-21/h4-15,24H,3H2,1-2H3,(H,26,29)
InChIKeyLKWPBZYPNLKWRI-UHFFFAOYSA-N
XLogP4.78
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide?
The IUPAC name of N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide (CID 11177142) is N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide.
What is the SMILES notation for N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide?
The canonical SMILES for N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide is CCNC(=O)c1ccc(C2=NOC(c3ccc(F)cc3)N2c2ccc(C)cc2)cc1.
What is the InChIKey of N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide?
The InChIKey is LKWPBZYPNLKWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O2/c1-3-26-23(29)18-8-6-17(7-9-18)22-27-30-24(19-10-12-20(25)13-11-19)28(22)21-14-4-16(2)5-15-21/h4-15,24H,3H2,1-2H3,(H,26,29).
What are the key properties of N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide?
N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide has a molecular weight of 403.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 11177142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).