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

C14H13N3O4 — CID 45497215

IUPAC7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nnc(C)o3)oc12
InChIInChI=1S/C14H13N3O4/c1-8-16-17-12(20-8)7-15-14(18)11-6-9-4-3-5-10(19-2)13(9)21-11/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyRJHDRKDTAVTCRH-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.06
Rot. Bonds4

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

7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 45497215) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
PubChem CID45497215
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cccc2cc(C(=O)NCc3nnc(C)o3)oc12
InChIInChI=1S/C14H13N3O4/c1-8-16-17-12(20-8)7-15-14(18)11-6-9-4-3-5-10(19-2)13(9)21-11/h3-6H,7H2,1-2H3,(H,15,18)
InChIKeyRJHDRKDTAVTCRH-UHFFFAOYSA-N
XLogP2.06
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide (CID 45497215) is 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide is COc1cccc2cc(C(=O)NCc3nnc(C)o3)oc12.
What is the InChIKey of 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is RJHDRKDTAVTCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-8-16-17-12(20-8)7-15-14(18)11-6-9-4-3-5-10(19-2)13(9)21-11/h3-6H,7H2,1-2H3,(H,15,18).
What are the key properties of 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide?
7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 45497215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).