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

C24H17N3O3 — CID 30332801

IUPACN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cc2ccccc2o1
InChIInChI=1S/C24H17N3O3/c28-23(21-15-17-10-4-7-13-20(17)29-21)25-19-12-6-5-11-18(19)24-26-22(27-30-24)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,25,28)
InChIKeyZDLCYNOILMLLQK-UHFFFAOYSA-N
MW395.42 g/mol
LogP5.33
Rot. Bonds5

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

N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 30332801) has the molecular formula C24H17N3O3 and a molecular weight of 395.42 g/mol. Its IUPAC name is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID30332801
Molecular FormulaC24H17N3O3
Molecular Weight395.42 g/mol
Exact Mass395.13
IUPAC NameN-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cc2ccccc2o1
InChIInChI=1S/C24H17N3O3/c28-23(21-15-17-10-4-7-13-20(17)29-21)25-19-12-6-5-11-18(19)24-26-22(27-30-24)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,25,28)
InChIKeyZDLCYNOILMLLQK-UHFFFAOYSA-N
XLogP5.33
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329032
N-(2-phenoxyphenyl)-1-benzofuran-2-carboxamide
CID 2497370
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-(5,6,7,8-tetrahydronaphthalen-1-yl)-1-benzofuran-2-carboxamide
CID 26516067
N-(2-methylquinolin-8-yl)-1-benzofuran-2-carboxamide
CID 2996037
5-bromo-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 16763198
4-chloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 30329541
N-[2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]furan-2-carboxamide
CID 30331950
2,2,2-trichloro-N-[2-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30334549
N-(4-iodophenyl)-1-benzofuran-2-carboxamide
CID 986281

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide (CID 30332801) is N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide is O=C(Nc1ccccc1-c1nc(Cc2ccccc2)no1)c1cc2ccccc2o1.
What is the InChIKey of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is ZDLCYNOILMLLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O3/c28-23(21-15-17-10-4-7-13-20(17)29-21)25-19-12-6-5-11-18(19)24-26-22(27-30-24)14-16-8-2-1-3-9-16/h1-13,15H,14H2,(H,25,28).
What are the key properties of N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide?
N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-benzyl-1,2,4-oxadiazol-5-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 30332801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).