(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide

C18H13N5O3 — CID 155541970

IUPAC(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
SMILESCn1nnc(-c2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)n1
InChIInChI=1S/C18H13N5O3/c1-23-21-18(20-22-23)11-7-5-10(6-8-11)9-14-15(24)12-3-2-4-13(17(19)25)16(12)26-14/h2-9H,1H3,(H2,19,25)/b14-9-
InChIKeyWZDFRBODSHYHBJ-ZROIWOOFSA-N
MW347.33 g/mol
LogP1.59
Rot. Bonds3

About (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide

(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide (PubChem CID 155541970) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
PubChem CID155541970
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC Name(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
SMILESCn1nnc(-c2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)n1
InChIInChI=1S/C18H13N5O3/c1-23-21-18(20-22-23)11-7-5-10(6-8-11)9-14-15(24)12-3-2-4-13(17(19)25)16(12)26-14/h2-9H,1H3,(H2,19,25)/b14-9-
InChIKeyWZDFRBODSHYHBJ-ZROIWOOFSA-N
XLogP1.59
TPSA112.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-[5-(4-Methylphenyl)tetrazol-2-yl]ethoxy]phenyl]ethanone
CID 2550878
(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)-3-oxo-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-7-carboxamide
CID 155538039
(2Z)-2-[[2-methoxy-4-(2H-tetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide
CID 155541447
(2Z)-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
CID 155934770
4-[2-[2-(5-Fluoro-2-methoxyphenyl)-2-oxoethyl]tetrazol-5-yl]benzamide
CID 8262808
(2Z)-5-methoxy-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
CID 13319817
(2Z)-5-methoxy-2-[[4-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
CID 13319819
(2Z)-5-ethyl-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
CID 13319821
3-[(3-methylphenyl)methylidene]-7-(2H-tetrazol-5-yl)-1,2-dihydrocyclopenta[b]chromen-9-one
CID 53685885
5-ethyl-2-[[3-(2H-tetrazol-5-yl)phenyl]methylidene]-1-benzofuran-3-one
CID 53714944

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The IUPAC name of (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide (CID 155541970) is (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide.
What is the SMILES notation for (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The canonical SMILES for (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide is Cn1nnc(-c2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)n1.
What is the InChIKey of (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
The InChIKey is WZDFRBODSHYHBJ-ZROIWOOFSA-N. The full InChI is InChI=1S/C18H13N5O3/c1-23-21-18(20-22-23)11-7-5-10(6-8-11)9-14-15(24)12-3-2-4-13(17(19)25)16(12)26-14/h2-9H,1H3,(H2,19,25)/b14-9-.
What are the key properties of (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide?
(2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(2-methyltetrazol-5-yl)phenyl]methylidene]-3-oxo-1-benzofuran-7-carboxamide is sourced from PubChem (CID 155541970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).