5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide

C14H15N5O2 — CID 71855698

IUPAC5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCCc3nn[nH]n3)cc2c1
InChIInChI=1S/C14H15N5O2/c1-9-4-5-11-10(7-9)8-12(21-11)14(20)15-6-2-3-13-16-18-19-17-13/h4-5,7-8H,2-3,6H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyXJEATXNKGGNILT-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.62
Rot. Bonds5

About 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide

5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 71855698) has the molecular formula C14H15N5O2 and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
PubChem CID71855698
Molecular FormulaC14H15N5O2
Molecular Weight285.31 g/mol
Exact Mass285.12
IUPAC Name5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCCc3nn[nH]n3)cc2c1
InChIInChI=1S/C14H15N5O2/c1-9-4-5-11-10(7-9)8-12(21-11)14(20)15-6-2-3-13-16-18-19-17-13/h4-5,7-8H,2-3,6H2,1H3,(H,15,20)(H,16,17,18,19)
InChIKeyXJEATXNKGGNILT-UHFFFAOYSA-N
XLogP1.62
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
CID 28737366
N-(4-amino-4-sulfanylidenebutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 55101977
N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide
CID 106307633
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-[2-(1H-benzimidazol-2-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 60550590
5-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 46971081
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
N-[2-(4-aminopyrazol-1-yl)ethyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115319732
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyran-3-carboxamide
CID 170502514
1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 143368612

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide (CID 71855698) is 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCCCc3nn[nH]n3)cc2c1.
What is the InChIKey of 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is XJEATXNKGGNILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2/c1-9-4-5-11-10(7-9)8-12(21-11)14(20)15-6-2-3-13-16-18-19-17-13/h4-5,7-8H,2-3,6H2,1H3,(H,15,20)(H,16,17,18,19).
What are the key properties of 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide?
5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 71855698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).