7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C15H14N6O4 — CID 139676334

IUPAC7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1onc(C(=O)Nc3nn[nH]n3)c1CC2
InChIInChI=1S/C15H14N6O4/c1-23-10-5-7-3-4-8-12(14(22)16-15-17-20-21-18-15)19-25-13(8)9(7)6-11(10)24-2/h5-6H,3-4H2,1-2H3,(H2,16,17,18,20,21,22)
InChIKeyGJJBTNBIVFKAIM-UHFFFAOYSA-N
MW342.32 g/mol
LogP1.22
Rot. Bonds4

About 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 139676334) has the molecular formula C15H14N6O4 and a molecular weight of 342.32 g/mol. Its IUPAC name is 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID139676334
Molecular FormulaC15H14N6O4
Molecular Weight342.32 g/mol
Exact Mass342.11
IUPAC Name7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1cc2c(cc1OC)-c1onc(C(=O)Nc3nn[nH]n3)c1CC2
InChIInChI=1S/C15H14N6O4/c1-23-10-5-7-3-4-8-12(14(22)16-15-17-20-21-18-15)19-25-13(8)9(7)6-11(10)24-2/h5-6H,3-4H2,1-2H3,(H2,16,17,18,20,21,22)
InChIKeyGJJBTNBIVFKAIM-UHFFFAOYSA-N
XLogP1.22
TPSA128.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 139676334) is 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1cc2c(cc1OC)-c1onc(C(=O)Nc3nn[nH]n3)c1CC2.
What is the InChIKey of 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is GJJBTNBIVFKAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O4/c1-23-10-5-7-3-4-8-12(14(22)16-15-17-20-21-18-15)19-25-13(8)9(7)6-11(10)24-2/h5-6H,3-4H2,1-2H3,(H2,16,17,18,20,21,22).
What are the key properties of 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 342.32 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 139676334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).