methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate

C23H19FN2O3 — CID 11406636

IUPACmethyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(C2=NOC(c3ccc(F)cc3)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19FN2O3/c1-15-3-13-20(14-4-15)26-21(16-5-7-18(8-6-16)23(27)28-2)25-29-22(26)17-9-11-19(24)12-10-17/h3-14,22H,1-2H3
InChIKeyFOYNSWFGQIKWHG-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.82
Rot. Bonds4

About methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate

methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate (PubChem CID 11406636) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate
PubChem CID11406636
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Namemethyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate
SMILESCOC(=O)c1ccc(C2=NOC(c3ccc(F)cc3)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C23H19FN2O3/c1-15-3-13-20(14-4-15)26-21(16-5-7-18(8-6-16)23(27)28-2)25-29-22(26)17-9-11-19(24)12-10-17/h3-14,22H,1-2H3
InChIKeyFOYNSWFGQIKWHG-UHFFFAOYSA-N
XLogP4.82
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate?
The IUPAC name of methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate (CID 11406636) is methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate.
What is the SMILES notation for methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate?
The canonical SMILES for methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate is COC(=O)c1ccc(C2=NOC(c3ccc(F)cc3)N2c2ccc(C)cc2)cc1.
What is the InChIKey of methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate?
The InChIKey is FOYNSWFGQIKWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-15-3-13-20(14-4-15)26-21(16-5-7-18(8-6-16)23(27)28-2)25-29-22(26)17-9-11-19(24)12-10-17/h3-14,22H,1-2H3.
What are the key properties of methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate?
methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate has a molecular weight of 390.41 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[5-(4-fluorophenyl)-4-(4-methylphenyl)-5H-1,2,4-oxadiazol-3-yl]benzoate is sourced from PubChem (CID 11406636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).