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

C14H12N6O2 — CID 139676265

IUPAC7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCc1ccc2c(c1)CCc1c(C(=O)Nc3nn[nH]n3)noc1-2
InChIInChI=1S/C14H12N6O2/c1-7-2-4-9-8(6-7)3-5-10-11(18-22-12(9)10)13(21)15-14-16-19-20-17-14/h2,4,6H,3,5H2,1H3,(H2,15,16,17,19,20,21)
InChIKeyVBRXDZYOTDPIPD-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.51
Rot. Bonds2

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

7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 139676265) has the molecular formula C14H12N6O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID139676265
Molecular FormulaC14H12N6O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESCc1ccc2c(c1)CCc1c(C(=O)Nc3nn[nH]n3)noc1-2
InChIInChI=1S/C14H12N6O2/c1-7-2-4-9-8(6-7)3-5-10-11(18-22-12(9)10)13(21)15-14-16-19-20-17-14/h2,4,6H,3,5H2,1H3,(H2,15,16,17,19,20,21)
InChIKeyVBRXDZYOTDPIPD-UHFFFAOYSA-N
XLogP1.51
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 139676265) is 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is Cc1ccc2c(c1)CCc1c(C(=O)Nc3nn[nH]n3)noc1-2.
What is the InChIKey of 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is VBRXDZYOTDPIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O2/c1-7-2-4-9-8(6-7)3-5-10-11(18-22-12(9)10)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 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 296.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2H-tetrazol-5-yl)-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 139676265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).