5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide

C13H13N5O3 — CID 2473871

IUPAC5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3nn[nH]n3)c(C)c2c1
InChIInChI=1S/C13H13N5O3/c1-3-20-8-4-5-10-9(6-8)7(2)11(21-10)12(19)14-13-15-17-18-16-13/h4-6H,3H2,1-2H3,(H2,14,15,16,17,18,19)
InChIKeyRMXVIIHZEGBMRF-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.91
Rot. Bonds4

About 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide

5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide (PubChem CID 2473871) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
PubChem CID2473871
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)Nc3nn[nH]n3)c(C)c2c1
InChIInChI=1S/C13H13N5O3/c1-3-20-8-4-5-10-9(6-8)7(2)11(21-10)12(19)14-13-15-17-18-16-13/h4-6H,3H2,1-2H3,(H2,14,15,16,17,18,19)
InChIKeyRMXVIIHZEGBMRF-UHFFFAOYSA-N
XLogP1.91
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide (CID 2473871) is 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)Nc3nn[nH]n3)c(C)c2c1.
What is the InChIKey of 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
The InChIKey is RMXVIIHZEGBMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-3-20-8-4-5-10-9(6-8)7(2)11(21-10)12(19)14-13-15-17-18-16-13/h4-6H,3H2,1-2H3,(H2,14,15,16,17,18,19).
What are the key properties of 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide?
5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide has a molecular weight of 287.28 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2473871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).