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

C14H15N5O4 — CID 70352926

IUPAC5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3nn[nH]n3)oc(OC(C)C)c2c1
InChIInChI=1S/C14H15N5O4/c1-7(2)22-13-10-6-8(21-3)4-5-9(10)11(23-13)12(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWPJYFTIFOCDMKS-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.99
Rot. Bonds5

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

5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (PubChem CID 70352926) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
PubChem CID70352926
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCOc1ccc2c(C(=O)Nc3nn[nH]n3)oc(OC(C)C)c2c1
InChIInChI=1S/C14H15N5O4/c1-7(2)22-13-10-6-8(21-3)4-5-9(10)11(23-13)12(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)
InChIKeyWPJYFTIFOCDMKS-UHFFFAOYSA-N
XLogP1.99
TPSA115.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The IUPAC name of 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (CID 70352926) is 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.
What is the SMILES notation for 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The canonical SMILES for 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is COc1ccc2c(C(=O)Nc3nn[nH]n3)oc(OC(C)C)c2c1.
What is the InChIKey of 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The InChIKey is WPJYFTIFOCDMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-7(2)22-13-10-6-8(21-3)4-5-9(10)11(23-13)12(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20).
What are the key properties of 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide has a molecular weight of 317.31 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is sourced from PubChem (CID 70352926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).