(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide

C17H11N5O3 — CID 155538039

IUPAC(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1cccc(-c3nn[nH]n3)c1)C2=O
InChIInChI=1S/C17H11N5O3/c18-16(24)12-6-2-5-11-14(23)13(25-15(11)12)8-9-3-1-4-10(7-9)17-19-21-22-20-17/h1-8H,(H2,18,24)(H,19,20,21,22)/b13-8-
InChIKeyPVFLDVIYCDNDDQ-JYRVWZFOSA-N
MW333.31 g/mol
LogP1.58
Rot. Bonds3

About (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide

(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide (PubChem CID 155538039) has the molecular formula C17H11N5O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
PubChem CID155538039
Molecular FormulaC17H11N5O3
Molecular Weight333.31 g/mol
Exact Mass333.09
IUPAC Name(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
SMILESNC(=O)c1cccc2c1O/C(=C\c1cccc(-c3nn[nH]n3)c1)C2=O
InChIInChI=1S/C17H11N5O3/c18-16(24)12-6-2-5-11-14(23)13(25-15(11)12)8-9-3-1-4-10(7-9)17-19-21-22-20-17/h1-8H,(H2,18,24)(H,19,20,21,22)/b13-8-
InChIKeyPVFLDVIYCDNDDQ-JYRVWZFOSA-N
XLogP1.58
TPSA123.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1h-Tetrazol-5-Yl)phenyl]-4h-Chromen-4-One
CID 46742374
(2Z)-3-oxo-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155524058
(2Z)-2-[[3-fluoro-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155529239
(2Z)-2-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155541447
(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155541970
2-phenyl-6-(2H-tetrazol-5-yl)chromen-4-one
CID 2817492
2-(1H-Tetrazol-5-yl)-6,11-dihydro-11-oxodibenz[b,e]oxepin
CID 21162721
3-[(4-fluorophenyl)methylidene]-7-(2H-tetrazol-5-yl)-1,2-dihydrocyclopenta[b]chromen-9-one
CID 54281252
(3E)-3-[(4-fluorophenyl)methylidene]-7-(2H-tetrazol-5-yl)-1,2-dihydrocyclopenta[b]chromen-9-one
CID 70431710
2-[(4-fluorophenyl)methyl]-5-[3-(2H-tetrazol-5-yl)phenyl]-1-benzofuran-3-carboxamide
CID 91148162
6-(1-benzofuran-2-yl)-5-[2-fluoro-5-(2H-tetrazol-5-yl)phenyl]hexanamide
CID 123145333
(2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
CID 155934770

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide?
The IUPAC name of (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide (CID 155538039) is (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide?
The canonical SMILES for (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide is NC(=O)c1cccc2c1O/C(=C\c1cccc(-c3nn[nH]n3)c1)C2=O.
What is the InChIKey of (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide?
The InChIKey is PVFLDVIYCDNDDQ-JYRVWZFOSA-N. The full InChI is InChI=1S/C17H11N5O3/c18-16(24)12-6-2-5-11-14(23)13(25-15(11)12)8-9-3-1-4-10(7-9)17-19-21-22-20-17/h1-8H,(H2,18,24)(H,19,20,21,22)/b13-8-.
What are the key properties of (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide?
(2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide has a molecular weight of 333.31 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide is sourced from PubChem (CID 155538039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).