N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide

C18H13N3O3 — CID 40957457

IUPACN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)cc1
InChIInChI=1S/C18H13N3O3/c1-11-6-8-12(9-7-11)16(22)19-18-21-20-17(24-18)15-10-13-4-2-3-5-14(13)23-15/h2-10H,1H3,(H,19,21,22)
InChIKeyFTCNLEBOPCUMFM-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.04
Rot. Bonds3

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

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide (PubChem CID 40957457) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
PubChem CID40957457
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)cc1
InChIInChI=1S/C18H13N3O3/c1-11-6-8-12(9-7-11)16(22)19-18-21-20-17(24-18)15-10-13-4-2-3-5-14(13)23-15/h2-10H,1H3,(H,19,21,22)
InChIKeyFTCNLEBOPCUMFM-UHFFFAOYSA-N
XLogP4.04
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3,4-dimethylbenzamide
CID 40957553
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 40957473
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 16826893
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dimethylphenyl)acetamide
CID 40957915
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 40957849
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2,4-dichlorobenzamide
CID 40957496
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 40957771
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-phenylquinoline-4-carboxamide
CID 67204744
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-naphthalen-1-ylacetamide
CID 40957658
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 43972075
N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43977755
N-[5-(7-ethoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylbenzamide
CID 40957009

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide (CID 40957457) is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide.
What is the SMILES notation for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The canonical SMILES for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)cc1.
What is the InChIKey of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
The InChIKey is FTCNLEBOPCUMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c1-11-6-8-12(9-7-11)16(22)19-18-21-20-17(24-18)15-10-13-4-2-3-5-14(13)23-15/h2-10H,1H3,(H,19,21,22).
What are the key properties of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide?
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide has a molecular weight of 319.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide is sourced from PubChem (CID 40957457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).