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

C13H10N6O2 — CID 139676257

IUPACN-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C13H10N6O2/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/h1-4H,5-6H2,(H2,14,15,16,18,19,20)
InChIKeyMMLPVXTZUCWNRL-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.21
Rot. Bonds2

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

N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 139676257) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID139676257
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC NameN-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(Nc1nn[nH]n1)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C13H10N6O2/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/h1-4H,5-6H2,(H2,14,15,16,18,19,20)
InChIKeyMMLPVXTZUCWNRL-UHFFFAOYSA-N
XLogP1.21
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 139676257) is N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is O=C(Nc1nn[nH]n1)c1noc2c1CCc1ccccc1-2.
What is the InChIKey of N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is MMLPVXTZUCWNRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/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/h1-4H,5-6H2,(H2,14,15,16,18,19,20).
What are the key properties of N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 282.26 g/mol, XLogP of 1.21, 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)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 139676257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).