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

C15H11N5O3 — CID 110743272

IUPACN-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N5O3/c21-15(10-3-6-12-13(7-10)23-8-22-12)16-11-4-1-9(2-5-11)14-17-19-20-18-14/h1-7H,8H2,(H,16,21)(H,17,18,19,20)
InChIKeyJJLDTSXIWQBXQU-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.85
Rot. Bonds3

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

N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide (PubChem CID 110743272) has the molecular formula C15H11N5O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
PubChem CID110743272
Molecular FormulaC15H11N5O3
Molecular Weight309.29 g/mol
Exact Mass309.09
IUPAC NameN-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N5O3/c21-15(10-3-6-12-13(7-10)23-8-22-12)16-11-4-1-9(2-5-11)14-17-19-20-18-14/h1-7H,8H2,(H,16,21)(H,17,18,19,20)
InChIKeyJJLDTSXIWQBXQU-UHFFFAOYSA-N
XLogP1.85
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-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

N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
4-bromo-N-[4-(2H-tetrazol-5-yl)phenyl]benzamide
CID 110720188
N-[4-(4-fluoroanilino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112986861
N-[4-[(4-methylphenyl)methylamino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 112982174
N-[4-(2-oxopropylamino)phenyl]-1,3-benzodioxole-5-carboxamide
CID 22299162
N-(1,3-benzodioxol-5-ylmethyl)-N-methyl-4-(2H-tetrazol-5-yl)benzamide
CID 17458460
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7593475
N-(4-ethylsulfonylphenyl)-1,3-benzodioxole-5-carboxamide
CID 110793125
N-[4-[(3-methylbenzoyl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 1092870
N-[4-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]-1,3-benzodioxole-5-carboxamide
CID 24699163
N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]-1,3-benzodioxole-5-carboxamide
CID 110492864
N-(4-imidazo[1,2-a]pyridin-2-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 7214219

Frequently Asked Questions

What is the IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide (CID 110743272) is N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide is O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is JJLDTSXIWQBXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O3/c21-15(10-3-6-12-13(7-10)23-8-22-12)16-11-4-1-9(2-5-11)14-17-19-20-18-14/h1-7H,8H2,(H,16,21)(H,17,18,19,20).
What are the key properties of N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide?
N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2H-tetrazol-5-yl)phenyl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 110743272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).