N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

C17H15N5O3 — CID 973183

IUPACN-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C17H15N5O3/c1-11-4-2-3-5-13(11)17-19-21-22(20-17)9-16(23)18-12-6-7-14-15(8-12)25-10-24-14/h2-8H,9-10H2,1H3,(H,18,23)
InChIKeyWQYGREXXJBHZOW-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.02
Rot. Bonds4

About N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide

N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (PubChem CID 973183) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
PubChem CID973183
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide
SMILESCc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C17H15N5O3/c1-11-4-2-3-5-13(11)17-19-21-22(20-17)9-16(23)18-12-6-7-14-15(8-12)25-10-24-14/h2-8H,9-10H2,1H3,(H,18,23)
InChIKeyWQYGREXXJBHZOW-UHFFFAOYSA-N
XLogP2.02
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide (CID 973183) is N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is Cc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
The InChIKey is WQYGREXXJBHZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-11-4-2-3-5-13(11)17-19-21-22(20-17)9-16(23)18-12-6-7-14-15(8-12)25-10-24-14/h2-8H,9-10H2,1H3,(H,18,23).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide?
N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide has a molecular weight of 337.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-[5-(2-methylphenyl)tetrazol-2-yl]acetamide is sourced from PubChem (CID 973183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).