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

C14H12N6O3 — CID 139676271

IUPAC6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1cccc2c1CCc1c(C(=O)Nc3nn[nH]n3)noc1-2
InChIInChI=1S/C14H12N6O3/c1-22-10-4-2-3-8-7(10)5-6-9-11(18-23-12(8)9)13(21)15-14-16-19-20-17-14/h2-4H,5-6H2,1H3,(H2,15,16,17,19,20,21)
InChIKeyMYKJOHQECLBOIY-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.21
Rot. Bonds3

About 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 139676271) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID139676271
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1cccc2c1CCc1c(C(=O)Nc3nn[nH]n3)noc1-2
InChIInChI=1S/C14H12N6O3/c1-22-10-4-2-3-8-7(10)5-6-9-11(18-23-12(8)9)13(21)15-14-16-19-20-17-14/h2-4H,5-6H2,1H3,(H2,15,16,17,19,20,21)
InChIKeyMYKJOHQECLBOIY-UHFFFAOYSA-N
XLogP1.21
TPSA118.82 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 139676271) is 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1cccc2c1CCc1c(C(=O)Nc3nn[nH]n3)noc1-2.
What is the InChIKey of 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is MYKJOHQECLBOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/c1-22-10-4-2-3-8-7(10)5-6-9-11(18-23-12(8)9)13(21)15-14-16-19-20-17-14/h2-4H,5-6H2,1H3,(H2,15,16,17,19,20,21).
What are the key properties of 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 312.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 139676271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).