2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide

C11H10N8O2 — CID 58778266

IUPAC2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide
SMILESNc1nonc1-c1nnnn1CC(=O)Nc1ccccc1
InChIInChI=1S/C11H10N8O2/c12-10-9(15-21-16-10)11-14-17-18-19(11)6-8(20)13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,16)(H,13,20)
InChIKeyKKNGANZFKUWYIZ-UHFFFAOYSA-N
MW286.25 g/mol
LogP-0.06
Rot. Bonds4

About 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide

2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide (PubChem CID 58778266) has the molecular formula C11H10N8O2 and a molecular weight of 286.25 g/mol. Its IUPAC name is 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide
PubChem CID58778266
Molecular FormulaC11H10N8O2
Molecular Weight286.25 g/mol
Exact Mass286.09
IUPAC Name2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide
SMILESNc1nonc1-c1nnnn1CC(=O)Nc1ccccc1
InChIInChI=1S/C11H10N8O2/c12-10-9(15-21-16-10)11-14-17-18-19(11)6-8(20)13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,16)(H,13,20)
InChIKeyKKNGANZFKUWYIZ-UHFFFAOYSA-N
XLogP-0.06
TPSA137.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-[[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetyl]amino]benzoate
CID 1017543
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 1096323
2-(5-aminotetrazol-1-yl)-N-(4-fluorophenyl)acetamide
CID 829145
2-[5-amino-4-(3-phenyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]-N-phenylacetamide
CID 15988295
methyl 5-amino-1-(2-anilino-2-oxoethyl)triazole-4-carboxylate
CID 4610938
5-amino-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyltriazole-4-carboxamide
CID 22423731
N-(3-chlorophenyl)-2-[5-(4-chlorophenyl)tetrazol-1-yl]acetamide
CID 9421628
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[3,5-bis(trifluoromethyl)phenyl]acetamide
CID 156768738
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]-N-[4-(piperidine-1-carbonyl)phenyl]acetamide
CID 5298813
5-amino-1-(2-anilino-2-oxoethyl)-N-benzyltriazole-4-carboxamide
CID 6619515
2-[5-(2-fluorophenyl)tetrazol-1-yl]-N-(4-pyrrolidin-1-ylphenyl)acetamide
CID 23607728
ethyl 4,5-dimethyl-2-[[2-(5-phenyltetrazol-1-yl)acetyl]amino]thiophene-3-carboxylate
CID 9419839

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide?
The IUPAC name of 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide (CID 58778266) is 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide?
The canonical SMILES for 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide is Nc1nonc1-c1nnnn1CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide?
The InChIKey is KKNGANZFKUWYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N8O2/c12-10-9(15-21-16-10)11-14-17-18-19(11)6-8(20)13-7-4-2-1-3-5-7/h1-5H,6H2,(H2,12,16)(H,13,20).
What are the key properties of 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide?
2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide has a molecular weight of 286.25 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-amino-1,2,5-oxadiazol-3-yl)tetrazol-1-yl]-N-phenylacetamide is sourced from PubChem (CID 58778266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).