2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C13H13N7O2 — CID 858292

IUPAC2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(N)cc3)n2)no1
InChIInChI=1S/C13H13N7O2/c1-8-6-11(18-22-8)15-12(21)7-20-17-13(16-19-20)9-2-4-10(14)5-3-9/h2-6H,7,14H2,1H3,(H,15,18,21)
InChIKeyKWRKZOVHYGIXIE-UHFFFAOYSA-N
MW299.29 g/mol
LogP0.86
Rot. Bonds4

About 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 858292) has the molecular formula C13H13N7O2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID858292
Molecular FormulaC13H13N7O2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(N)cc3)n2)no1
InChIInChI=1S/C13H13N7O2/c1-8-6-11(18-22-8)15-12(21)7-20-17-13(16-19-20)9-2-4-10(14)5-3-9/h2-6H,7,14H2,1H3,(H,15,18,21)
InChIKeyKWRKZOVHYGIXIE-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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Related Compounds

N-(5-methyl-3-isoxazolyl)-N-{2-[1-(4-methylphenyl)-1H-tetraazol-5-yl]vinyl}amine
CID 7285283
2-[5-(2-Amino-phenyl)-tetrazol-2-yl]-N-(5-methyl-isoxazol-3-yl)-acetamide
CID 858723
4-fluoro-N-[4-[2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]tetrazol-5-yl]phenyl]benzamide
CID 1440071
2-Fluoro-N-(2-{2-[(5-methyl-isoxazol-3-ylcarbamoyl)-methyl]-2H-tetrazol-5-yl}-phenyl)-benzamide
CID 3192819
2-[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-propylamino]-N-(2-methylphenyl)acetamide
CID 4882072
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(4-nitrophenyl)triazol-1-yl]acetamide
CID 155518969
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9205974
N1-(4-(dimethylamino)phenethyl)-N2-(5-methylisoxazol-3-yl)oxalamide
CID 16891476
N1-(5-methylisoxazol-3-yl)-N2-(4-(pyrrolidin-1-yl)phenethyl)oxalamide
CID 16891561
N1-(3-(4-(dimethylamino)phenyl)propyl)-N2-(5-methylisoxazol-3-yl)oxalamide
CID 16891977
3-fluoro-N-[3-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
CID 1440254
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 4793328

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 858292) is 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)Cn2nnc(-c3ccc(N)cc3)n2)no1.
What is the InChIKey of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is KWRKZOVHYGIXIE-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)9-2-4-10(14)5-3-9/h2-6H,7,14H2,1H3,(H,15,18,21).
What are the key properties of 2-[5-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[5-(4-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-(4-aminophenyl)tetrazol-2-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 858292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).