2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H13N7O2 — CID 858723

IUPAC2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3N)n2)no1
InChIInChI=1S/C13H13N7O2/c1-8-6-11(18-22-8)15-12(21)7-20-17-13(16-19-20)9-4-2-3-5-10(9)14/h2-6H,7,14H2,1H3,(H,15,18,21)
InChIKeyABUHSDOPNYVFIV-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.86
Rot. Bonds4

About 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 858723) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID858723
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccccc3N)n2)no1
InChIInChI=1S/C13H13N7O2/c1-8-6-11(18-22-8)15-12(21)7-20-17-13(16-19-20)9-4-2-3-5-10(9)14/h2-6H,7,14H2,1H3,(H,15,18,21)
InChIKeyABUHSDOPNYVFIV-UHFFFAOYSA-N
XLogP0.86
TPSA124.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 858723) is 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccccc3N)n2)no1.
What is the InChIKey of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is ABUHSDOPNYVFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N7O2/c1-8-6-11(18-22-8)15-12(21)7-20-17-13(16-19-20)9-4-2-3-5-10(9)14/h2-6H,7,14H2,1H3,(H,15,18,21).
What are the key properties of 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 299.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 858723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).