2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide

C25H18FN3O3 — CID 59275675

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnc(C)o4)c3)cc12
InChIInChI=1S/C25H18FN3O3/c1-14-28-29-25(31-14)18-5-3-4-16(12-18)17-8-11-21-20(13-17)22(24(30)27-2)23(32-21)15-6-9-19(26)10-7-15/h3-13H,1-2H3,(H,27,30)
InChIKeyDMTAIGQTCPTJRW-UHFFFAOYSA-N
MW427.44 g/mol
LogP5.62
Rot. Bonds4

About 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275675) has the molecular formula C25H18FN3O3 and a molecular weight of 427.44 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID59275675
Molecular FormulaC25H18FN3O3
Molecular Weight427.44 g/mol
Exact Mass427.13
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnc(C)o4)c3)cc12
InChIInChI=1S/C25H18FN3O3/c1-14-28-29-25(31-14)18-5-3-4-16(12-18)17-8-11-21-20(13-17)22(24(30)27-2)23(32-21)15-6-9-19(26)10-7-15/h3-13H,1-2H3,(H,27,30)
InChIKeyDMTAIGQTCPTJRW-UHFFFAOYSA-N
XLogP5.62
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.44
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide (CID 59275675) is 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnc(C)o4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is DMTAIGQTCPTJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN3O3/c1-14-28-29-25(31-14)18-5-3-4-16(12-18)17-8-11-21-20(13-17)22(24(30)27-2)23(32-21)15-6-9-19(26)10-7-15/h3-13H,1-2H3,(H,27,30).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 427.44 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).