5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide

C20H17N3O6 — CID 150045100

IUPAC5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(-n4nc(OC)oc4=O)cc3C)cc2c1
InChIInChI=1S/C20H17N3O6/c1-11-8-13(23-20(25)29-19(22-23)27-3)4-6-15(11)21-18(24)17-10-12-9-14(26-2)5-7-16(12)28-17/h4-10H,1-3H3,(H,21,24)
InChIKeyDKCNMKMMJVBRTE-UHFFFAOYSA-N
MW395.37 g/mol
LogP3.15
Rot. Bonds5

About 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide

5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide (PubChem CID 150045100) has the molecular formula C20H17N3O6 and a molecular weight of 395.37 g/mol. Its IUPAC name is 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
PubChem CID150045100
Molecular FormulaC20H17N3O6
Molecular Weight395.37 g/mol
Exact Mass395.11
IUPAC Name5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide
SMILESCOc1ccc2oc(C(=O)Nc3ccc(-n4nc(OC)oc4=O)cc3C)cc2c1
InChIInChI=1S/C20H17N3O6/c1-11-8-13(23-20(25)29-19(22-23)27-3)4-6-15(11)21-18(24)17-10-12-9-14(26-2)5-7-16(12)28-17/h4-10H,1-3H3,(H,21,24)
InChIKeyDKCNMKMMJVBRTE-UHFFFAOYSA-N
XLogP3.15
TPSA108.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide (CID 150045100) is 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide is COc1ccc2oc(C(=O)Nc3ccc(-n4nc(OC)oc4=O)cc3C)cc2c1.
What is the InChIKey of 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?
The InChIKey is DKCNMKMMJVBRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O6/c1-11-8-13(23-20(25)29-19(22-23)27-3)4-6-15(11)21-18(24)17-10-12-9-14(26-2)5-7-16(12)28-17/h4-10H,1-3H3,(H,21,24).
What are the key properties of 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide?
5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide has a molecular weight of 395.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[4-(5-methoxy-2-oxo-1,3,4-oxadiazol-3-yl)-2-methylphenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 150045100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).