N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide

C13H8N6O2 — CID 67762032

IUPACN-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1noc2c1ccc1ccccc12
InChIInChI=1S/C13H8N6O2/c20-12(14-13-15-18-19-16-13)10-9-6-5-7-3-1-2-4-8(7)11(9)21-17-10/h1-6H,(H2,14,15,16,18,19,20)
InChIKeyPIZOFPILLKXACA-UHFFFAOYSA-N
MW280.25 g/mol
LogP1.75
Rot. Bonds2

About N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide

N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 67762032) has the molecular formula C13H8N6O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID67762032
Molecular FormulaC13H8N6O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC NameN-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1noc2c1ccc1ccccc12
InChIInChI=1S/C13H8N6O2/c20-12(14-13-15-18-19-16-13)10-9-6-5-7-3-1-2-4-8(7)11(9)21-17-10/h1-6H,(H2,14,15,16,18,19,20)
InChIKeyPIZOFPILLKXACA-UHFFFAOYSA-N
XLogP1.75
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide (CID 67762032) is N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide is O=C(Nc1nn[nH]n1)c1noc2c1ccc1ccccc12.
What is the InChIKey of N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is PIZOFPILLKXACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N6O2/c20-12(14-13-15-18-19-16-13)10-9-6-5-7-3-1-2-4-8(7)11(9)21-17-10/h1-6H,(H2,14,15,16,18,19,20).
What are the key properties of N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide?
N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 280.25 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 67762032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).