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

C19H17N5O3 — CID 70353187

IUPAC7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCC(C)Oc1oc(C(=O)Nc2nn[nH]n2)c2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H17N5O3/c1-11(2)26-18-14-10-6-9-13(12-7-4-3-5-8-12)15(14)16(27-18)17(25)20-19-21-23-24-22-19/h3-11H,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyATWBNGUXEQTFKX-UHFFFAOYSA-N
MW363.38 g/mol
LogP3.65
Rot. Bonds5

About 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide

7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (PubChem CID 70353187) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.

Molecular Properties

Compound Name7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
PubChem CID70353187
Molecular FormulaC19H17N5O3
Molecular Weight363.38 g/mol
Exact Mass363.13
IUPAC Name7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
SMILESCC(C)Oc1oc(C(=O)Nc2nn[nH]n2)c2c(-c3ccccc3)cccc12
InChIInChI=1S/C19H17N5O3/c1-11(2)26-18-14-10-6-9-13(12-7-4-3-5-8-12)15(14)16(27-18)17(25)20-19-21-23-24-22-19/h3-11H,1-2H3,(H2,20,21,22,23,24,25)
InChIKeyATWBNGUXEQTFKX-UHFFFAOYSA-N
XLogP3.65
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-3-methyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 2473871
2-{1-[4-(3,3-dimethyl-2-oxo-butoxy)-3-methyl-phenyl]-1-ethyl-propyl}-benzofuran-5-carboxylic acid (2H-tetrazol-5-yl)-amide
CID 11225866
5-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 13961697
3-methoxy-7-phenyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 13961699
3-ethoxy-7-phenyl-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 13961701
7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-1-benzofuran-2-carboxamide
CID 13961742
5-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)methyl]-N-(2H-tetrazol-5-yl)furan-2-carboxamide
CID 21045743
6-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
CID 68113279
5-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
CID 70352926
3,6-dimethoxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
CID 70353125
3-methoxy-5-phenyl-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
CID 70353188
7-methoxy-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide
CID 70353374

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The IUPAC name of 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide (CID 70353187) is 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide.
What is the SMILES notation for 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The canonical SMILES for 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is CC(C)Oc1oc(C(=O)Nc2nn[nH]n2)c2c(-c3ccccc3)cccc12.
What is the InChIKey of 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
The InChIKey is ATWBNGUXEQTFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-11(2)26-18-14-10-6-9-13(12-7-4-3-5-8-12)15(14)16(27-18)17(25)20-19-21-23-24-22-19/h3-11H,1-2H3,(H2,20,21,22,23,24,25).
What are the key properties of 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide?
7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-3-propan-2-yloxy-N-(2H-tetrazol-5-yl)-2-benzofuran-1-carboxamide is sourced from PubChem (CID 70353187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).