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

C15H17N5O2 — CID 28737366

IUPAC3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCCc3nn[nH]n3)c(C)c2c1
InChIInChI=1S/C15H17N5O2/c1-9-5-6-12-11(8-9)10(2)14(22-12)15(21)16-7-3-4-13-17-19-20-18-13/h5-6,8H,3-4,7H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyUVWSABPONSCSPF-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.93
Rot. Bonds5

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

3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide (PubChem CID 28737366) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
PubChem CID28737366
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC Name3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCCc3nn[nH]n3)c(C)c2c1
InChIInChI=1S/C15H17N5O2/c1-9-5-6-12-11(8-9)10(2)14(22-12)15(21)16-7-3-4-13-17-19-20-18-13/h5-6,8H,3-4,7H2,1-2H3,(H,16,21)(H,17,18,19,20)
InChIKeyUVWSABPONSCSPF-UHFFFAOYSA-N
XLogP1.93
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-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

5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
CID 71855698
N-(4-amino-4-oxobutyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 47189063
1-(2,4-dimethylphenyl)-4-methyl-5-(4-methylphenyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyrazole-3-carboxamide
CID 143368612
3,5-dimethyl-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-1-benzofuran-2-carboxamide
CID 25310202
N-cyclopentyl-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 16648842
1-(3,5-dimethyl-1-benzofuran-2-yl)ethanone
CID 15841993
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595
4-methyl-2-oxo-6-(3-phenylpropyl)-N-[3-(2H-tetrazol-5-yl)propyl]pyran-3-carboxamide
CID 170502514
5-ethyl-N-(2-hydroxyethyl)-3-methyl-1-benzofuran-2-carboxamide
CID 102534716
3,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-1-benzofuran-2-carboxamide
CID 9120446
N-(1,3-benzodioxol-5-ylmethyl)-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 975628
3-methyl-N-[3-(3-methylphenoxy)propyl]-1-benzofuran-2-carboxamide
CID 27040449

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide (CID 28737366) is 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCCCc3nn[nH]n3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is UVWSABPONSCSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9-5-6-12-11(8-9)10(2)14(22-12)15(21)16-7-3-4-13-17-19-20-18-13/h5-6,8H,3-4,7H2,1-2H3,(H,16,21)(H,17,18,19,20).
What are the key properties of 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 28737366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).