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

C14H12N6O3 — CID 139676256

IUPAC8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)-c1onc(C(=O)Nc3nn[nH]n3)c1CC2
InChIInChI=1S/C14H12N6O3/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/h2,4,6H,3,5H2,1H3,(H2,15,16,17,19,20,21)
InChIKeyOAPPNNPJRWZFGT-UHFFFAOYSA-N
MW312.29 g/mol
LogP1.21
Rot. Bonds3

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

8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 139676256) has the molecular formula C14H12N6O3 and a molecular weight of 312.29 g/mol. Its IUPAC name is 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID139676256
Molecular FormulaC14H12N6O3
Molecular Weight312.29 g/mol
Exact Mass312.10
IUPAC Name8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCOc1ccc2c(c1)-c1onc(C(=O)Nc3nn[nH]n3)c1CC2
InChIInChI=1S/C14H12N6O3/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/h2,4,6H,3,5H2,1H3,(H2,15,16,17,19,20,21)
InChIKeyOAPPNNPJRWZFGT-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 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 139676256) is 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is COc1ccc2c(c1)-c1onc(C(=O)Nc3nn[nH]n3)c1CC2.
What is the InChIKey of 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is OAPPNNPJRWZFGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O3/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/h2,4,6H,3,5H2,1H3,(H2,15,16,17,19,20,21).
What are the key properties of 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
8-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 8-methoxy-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 139676256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).