3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

C18H15N5O2 — CID 17015066

IUPAC3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)c(C)c2c1
InChIInChI=1S/C18H15N5O2/c1-11-3-8-16-15(9-11)12(2)17(25-16)18(24)20-13-4-6-14(7-5-13)23-10-19-21-22-23/h3-10H,1-2H3,(H,20,24)
InChIKeyYEPXQNXFXWBETJ-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.28
Rot. Bonds3

About 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide

3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 17015066) has the molecular formula C18H15N5O2 and a molecular weight of 333.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID17015066
Molecular FormulaC18H15N5O2
Molecular Weight333.35 g/mol
Exact Mass333.12
IUPAC Name3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)c(C)c2c1
InChIInChI=1S/C18H15N5O2/c1-11-3-8-16-15(9-11)12(2)17(25-16)18(24)20-13-4-6-14(7-5-13)23-10-19-21-22-23/h3-10H,1-2H3,(H,20,24)
InChIKeyYEPXQNXFXWBETJ-UHFFFAOYSA-N
XLogP3.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-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

3-methyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 648856
3-methyl-N-[3-methyl-4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 647922
1-(1-benzofuran-2-ylmethyl)-N-[4-(tetrazol-1-yl)phenyl]piperidine-4-carboxamide
CID 45230525
N-[3-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 7709970
N-[2-methyl-3-(1H-1,2,3,4-tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 2555282
5-(2-chlorophenyl)-N-[3-(1H-tetrazol-1-yl)phenyl]furan-2-carboxamide
CID 8073833
Furan-2-carboxylic acid [cyclohexylcarbamoyl-(4-methoxy-phenyl)-methyl]-(3-methyl-4-tetrazol-1-yl-phenyl)-amide
CID 3191292
3-methyl-N-[3-(1H-tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 8752955
3-(methoxymethyl)-N-[2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)phenyl]-1-benzofuran-2-carboxamide
CID 16258475
N-((1-(4-fluorophenyl)-1H-tetrazol-5-yl)methyl)benzofuran-2-carboxamide
CID 16799307
N-[[1-(3,4-difluorophenyl)tetrazol-5-yl]methyl]-1-benzofuran-2-carboxamide
CID 18565776
N-((1-(3-fluorophenyl)-1H-tetrazol-5-yl)methyl)benzofuran-2-carboxamide
CID 41567983

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 17015066) is 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)Nc3ccc(-n4cnnn4)cc3)c(C)c2c1.
What is the InChIKey of 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is YEPXQNXFXWBETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2/c1-11-3-8-16-15(9-11)12(2)17(25-16)18(24)20-13-4-6-14(7-5-13)23-10-19-21-22-23/h3-10H,1-2H3,(H,20,24).
What are the key properties of 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide?
3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 333.35 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-(tetrazol-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 17015066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).