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

C27H22FN3O3 — CID 59275143

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnc(C(C)C)o4)c3)cc12
InChIInChI=1S/C27H22FN3O3/c1-15(2)26-30-31-27(34-26)19-6-4-5-17(13-19)18-9-12-22-21(14-18)23(25(32)29-3)24(33-22)16-7-10-20(28)11-8-16/h4-15H,1-3H3,(H,29,32)
InChIKeyDUDBNYADFRDJAT-UHFFFAOYSA-N
MW455.49 g/mol
LogP6.44
Rot. Bonds5

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

2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 59275143) has the molecular formula C27H22FN3O3 and a molecular weight of 455.49 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID59275143
Molecular FormulaC27H22FN3O3
Molecular Weight455.49 g/mol
Exact Mass455.16
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnc(C(C)C)o4)c3)cc12
InChIInChI=1S/C27H22FN3O3/c1-15(2)26-30-31-27(34-26)19-6-4-5-17(13-19)18-9-12-22-21(14-18)23(25(32)29-3)24(33-22)16-7-10-20(28)11-8-16/h4-15H,1-3H3,(H,29,32)
InChIKeyDUDBNYADFRDJAT-UHFFFAOYSA-N
XLogP6.44
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.49
LogP ≤ 56.44
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-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide (CID 59275143) is 2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-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-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(-c4nnc(C(C)C)o4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is DUDBNYADFRDJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN3O3/c1-15(2)26-30-31-27(34-26)19-6-4-5-17(13-19)18-9-12-22-21(14-18)23(25(32)29-3)24(33-22)16-7-10-20(28)11-8-16/h4-15H,1-3H3,(H,29,32).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 6.44, 5 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-propan-2-yl-1,3,4-oxadiazol-2-yl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 59275143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).