3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide

C12H11N5O4 — CID 70353125

IUPAC3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCOc1ccc2c(OC)oc(C(=O)Nc3nn[nH]n3)c2c1
InChIInChI=1S/C12H11N5O4/c1-19-6-3-4-7-8(5-6)9(21-11(7)20-2)10(18)13-12-14-16-17-15-12/h3-5H,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyBGFIMJGCCORSMZ-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.22
Rot. Bonds4

About 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide

3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (PubChem CID 70353125) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
PubChem CID70353125
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC Name3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCOc1ccc2c(OC)oc(C(=O)Nc3nn[nH]n3)c2c1
InChIInChI=1S/C12H11N5O4/c1-19-6-3-4-7-8(5-6)9(21-11(7)20-2)10(18)13-12-14-16-17-15-12/h3-5H,1-2H3,(H2,13,14,15,16,17,18)
InChIKeyBGFIMJGCCORSMZ-UHFFFAOYSA-N
XLogP1.22
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The IUPAC name of 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (CID 70353125) is 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.
What is the SMILES notation for 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The canonical SMILES for 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is COc1ccc2c(OC)oc(C(=O)Nc3nn[nH]n3)c2c1.
What is the InChIKey of 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The InChIKey is BGFIMJGCCORSMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-19-6-3-4-7-8(5-6)9(21-11(7)20-2)10(18)13-12-14-16-17-15-12/h3-5H,1-2H3,(H2,13,14,15,16,17,18).
What are the key properties of 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is sourced from PubChem (CID 70353125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).