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

C20H17N3O3S — CID 40957849

IUPACN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c1
InChIInChI=1S/C20H17N3O3S/c1-12(2)27-15-8-5-7-14(10-15)18(24)21-20-23-22-19(26-20)17-11-13-6-3-4-9-16(13)25-17/h3-12H,1-2H3,(H,21,23,24)
InChIKeyVWPMIVXSDCVTHS-UHFFFAOYSA-N
MW379.44 g/mol
LogP5.24
Rot. Bonds5

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

N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide (PubChem CID 40957849) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide.

Molecular Properties

Compound NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
PubChem CID40957849
Molecular FormulaC20H17N3O3S
Molecular Weight379.44 g/mol
Exact Mass379.10
IUPAC NameN-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
SMILESCC(C)Sc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c1
InChIInChI=1S/C20H17N3O3S/c1-12(2)27-15-8-5-7-14(10-15)18(24)21-20-23-22-19(26-20)17-11-13-6-3-4-9-16(13)25-17/h3-12H,1-2H3,(H,21,23,24)
InChIKeyVWPMIVXSDCVTHS-UHFFFAOYSA-N
XLogP5.24
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.44
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-methylbenzamide
CID 40957457
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41146905
N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 90602930
N-[5-(3,5-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide
CID 41147051
3-propan-2-ylsulfanyl-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41146715
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-2-ethylsulfanylbenzamide
CID 40957771
3,5-dimethoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41228441
N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1,3-benzothiazole-6-carboxamide
CID 41228667
N-(5-phenyl-1,3,4-oxadiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147646
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-4-(diethylsulfamoyl)benzamide
CID 40957473
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The IUPAC name of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide (CID 40957849) is N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide.
What is the SMILES notation for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The canonical SMILES for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide is CC(C)Sc1cccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)o2)c1.
What is the InChIKey of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
The InChIKey is VWPMIVXSDCVTHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-12(2)27-15-8-5-7-14(10-15)18(24)21-20-23-22-19(26-20)17-11-13-6-3-4-9-16(13)25-17/h3-12H,1-2H3,(H,21,23,24).
What are the key properties of N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide?
N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide has a molecular weight of 379.44 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]-3-propan-2-ylsulfanylbenzamide is sourced from PubChem (CID 40957849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).