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

C24H24FN3O3 — CID 55685989

IUPACN-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C24H24FN3O3/c1-3-20-19(18-7-4-5-8-21(18)30-20)15-28(2)23(29)10-6-9-22-26-24(27-31-22)16-11-13-17(25)14-12-16/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3
InChIKeyAZUOLYYKYRJLFD-UHFFFAOYSA-N
MW421.47 g/mol
LogP5.17
Rot. Bonds8

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

N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide (PubChem CID 55685989) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide.

Molecular Properties

Compound NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
PubChem CID55685989
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC NameN-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide
SMILESCCc1oc2ccccc2c1CN(C)C(=O)CCCc1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C24H24FN3O3/c1-3-20-19(18-7-4-5-8-21(18)30-20)15-28(2)23(29)10-6-9-22-26-24(27-31-22)16-11-13-17(25)14-12-16/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3
InChIKeyAZUOLYYKYRJLFD-UHFFFAOYSA-N
XLogP5.17
TPSA72.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.47
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
The IUPAC name of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide (CID 55685989) is N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide.
What is the SMILES notation for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
The canonical SMILES for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide is CCc1oc2ccccc2c1CN(C)C(=O)CCCc1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
The InChIKey is AZUOLYYKYRJLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-3-20-19(18-7-4-5-8-21(18)30-20)15-28(2)23(29)10-6-9-22-26-24(27-31-22)16-11-13-17(25)14-12-16/h4-5,7-8,11-14H,3,6,9-10,15H2,1-2H3.
What are the key properties of N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide?
N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide has a molecular weight of 421.47 g/mol, XLogP of 5.17, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1-benzofuran-3-yl)methyl]-4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylbutanamide is sourced from PubChem (CID 55685989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).