3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide

C17H13N5O3 — CID 70353188

IUPAC3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCOc1oc(C(=O)Nc2nn[nH]n2)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C17H13N5O3/c1-24-16-13-9-11(10-5-3-2-4-6-10)7-8-12(13)14(25-16)15(23)18-17-19-21-22-20-17/h2-9H,1H3,(H2,18,19,20,21,22,23)
InChIKeyYMOHLYRQEHJEPF-UHFFFAOYSA-N
MW335.32 g/mol
LogP2.87
Rot. Bonds4

About 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide

3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (PubChem CID 70353188) has the molecular formula C17H13N5O3 and a molecular weight of 335.32 g/mol. Its IUPAC name is 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
PubChem CID70353188
Molecular FormulaC17H13N5O3
Molecular Weight335.32 g/mol
Exact Mass335.10
IUPAC Name3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCOc1oc(C(=O)Nc2nn[nH]n2)c2ccc(-c3ccccc3)cc12
InChIInChI=1S/C17H13N5O3/c1-24-16-13-9-11(10-5-3-2-4-6-10)7-8-12(13)14(25-16)15(23)18-17-19-21-22-20-17/h2-9H,1H3,(H2,18,19,20,21,22,23)
InChIKeyYMOHLYRQEHJEPF-UHFFFAOYSA-N
XLogP2.87
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.32
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The IUPAC name of 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (CID 70353188) is 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.
What is the SMILES notation for 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The canonical SMILES for 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is COc1oc(C(=O)Nc2nn[nH]n2)c2ccc(-c3ccccc3)cc12.
What is the InChIKey of 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The InChIKey is YMOHLYRQEHJEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3/c1-24-16-13-9-11(10-5-3-2-4-6-10)7-8-12(13)14(25-16)15(23)18-17-19-21-22-20-17/h2-9H,1H3,(H2,18,19,20,21,22,23).
What are the key properties of 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide has a molecular weight of 335.32 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is sourced from PubChem (CID 70353188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).