7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C13H9ClN6O2 — CID 139676329

IUPAC7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1noc2c1CCc1cc(Cl)ccc1-2
InChIInChI=1S/C13H9ClN6O2/c14-7-2-4-8-6(5-7)1-3-9-10(18-22-11(8)9)12(21)15-13-16-19-20-17-13/h2,4-5H,1,3H2,(H2,15,16,17,19,20,21)
InChIKeyJUSRDXPQFHDGIE-UHFFFAOYSA-N
MW316.71 g/mol
LogP1.86
Rot. Bonds2

About 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 139676329) has the molecular formula C13H9ClN6O2 and a molecular weight of 316.71 g/mol. Its IUPAC name is 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID139676329
Molecular FormulaC13H9ClN6O2
Molecular Weight316.71 g/mol
Exact Mass316.05
IUPAC Name7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1noc2c1CCc1cc(Cl)ccc1-2
InChIInChI=1S/C13H9ClN6O2/c14-7-2-4-8-6(5-7)1-3-9-10(18-22-11(8)9)12(21)15-13-16-19-20-17-13/h2,4-5H,1,3H2,(H2,15,16,17,19,20,21)
InChIKeyJUSRDXPQFHDGIE-UHFFFAOYSA-N
XLogP1.86
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.71
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 139676329) is 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is O=C(Nc1nn[nH]n1)c1noc2c1CCc1cc(Cl)ccc1-2.
What is the InChIKey of 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is JUSRDXPQFHDGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN6O2/c14-7-2-4-8-6(5-7)1-3-9-10(18-22-11(8)9)12(21)15-13-16-19-20-17-13/h2,4-5H,1,3H2,(H2,15,16,17,19,20,21).
What are the key properties of 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 316.71 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 139676329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).