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

C14H10N6O3 — CID 139676348

IUPAC8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2ccc3c(C(=O)Nc4nn[nH]n4)noc3c2c1
InChIInChI=1S/C14H10N6O3/c1-22-8-4-2-7-3-5-9-11(18-23-12(9)10(7)6-8)13(21)15-14-16-19-20-17-14/h2-6H,1H3,(H2,15,16,17,19,20,21)
InChIKeyASGYNZNWMDGIFS-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.75
Rot. Bonds3

About 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide

8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 139676348) has the molecular formula C14H10N6O3 and a molecular weight of 310.27 g/mol. Its IUPAC name is 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID139676348
Molecular FormulaC14H10N6O3
Molecular Weight310.27 g/mol
Exact Mass310.08
IUPAC Name8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2ccc3c(C(=O)Nc4nn[nH]n4)noc3c2c1
InChIInChI=1S/C14H10N6O3/c1-22-8-4-2-7-3-5-9-11(18-23-12(9)10(7)6-8)13(21)15-14-16-19-20-17-14/h2-6H,1H3,(H2,15,16,17,19,20,21)
InChIKeyASGYNZNWMDGIFS-UHFFFAOYSA-N
XLogP1.75
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-methoxy-N-(2H-tetrazol-5-yl)benzo[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 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide (CID 139676348) is 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2ccc3c(C(=O)Nc4nn[nH]n4)noc3c2c1.
What is the InChIKey of 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is ASGYNZNWMDGIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N6O3/c1-22-8-4-2-7-3-5-9-11(18-23-12(9)10(7)6-8)13(21)15-14-16-19-20-17-14/h2-6H,1H3,(H2,15,16,17,19,20,21).
What are the key properties of 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide?
8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 310.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-N-(2H-tetrazol-5-yl)benzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 139676348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).