7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide

C20H17N3O4S — CID 43973948

IUPAC7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nnc(Cc4ccc(SC)cc4)o3)oc12
InChIInChI=1S/C20H17N3O4S/c1-25-15-5-3-4-13-11-16(26-18(13)15)19(24)21-20-23-22-17(27-20)10-12-6-8-14(28-2)9-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,24)
InChIKeyQUDREFRYLZNXHB-UHFFFAOYSA-N
MW395.44 g/mol
LogP4.39
Rot. Bonds6

About 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide

7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide (PubChem CID 43973948) has the molecular formula C20H17N3O4S and a molecular weight of 395.44 g/mol. Its IUPAC name is 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
PubChem CID43973948
Molecular FormulaC20H17N3O4S
Molecular Weight395.44 g/mol
Exact Mass395.09
IUPAC Name7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)Nc3nnc(Cc4ccc(SC)cc4)o3)oc12
InChIInChI=1S/C20H17N3O4S/c1-25-15-5-3-4-13-11-16(26-18(13)15)19(24)21-20-23-22-17(27-20)10-12-6-8-14(28-2)9-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,24)
InChIKeyQUDREFRYLZNXHB-UHFFFAOYSA-N
XLogP4.39
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-ethoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43974153
3-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]naphthalene-2-carboxamide
CID 43974075
N-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 41226801
7-methoxy-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 40946613
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 43973904
7-ethoxy-N-[5-[(4-methylsulfonylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43975240
2,6-difluoro-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974057
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 16854474
7-methoxy-N-[5-(3-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 41228877
3-(3,4-dimethoxyphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]prop-2-enamide
CID 74907288
7-methoxy-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide
CID 43972317
7-methoxy-N-methyl-1-benzofuran-2-carboxamide
CID 53281820

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide (CID 43973948) is 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)Nc3nnc(Cc4ccc(SC)cc4)o3)oc12.
What is the InChIKey of 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
The InChIKey is QUDREFRYLZNXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O4S/c1-25-15-5-3-4-13-11-16(26-18(13)15)19(24)21-20-23-22-17(27-20)10-12-6-8-14(28-2)9-7-12/h3-9,11H,10H2,1-2H3,(H,21,23,24).
What are the key properties of 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide has a molecular weight of 395.44 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43973948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).