5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole

C21H24N4O2 — CID 11710326

IUPAC5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(COC2CC3CCCN4CCc5c(n2c2ccccc52)C34)n1
InChIInChI=1S/C21H24N4O2/c1-13-22-18(27-23-13)12-26-19-11-14-5-4-9-24-10-8-16-15-6-2-3-7-17(15)25(19)21(16)20(14)24/h2-3,6-7,14,19-20H,4-5,8-12H2,1H3
InChIKeyCUNNMSTXGPNPHE-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.76
Rot. Bonds3

About 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole

5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 11710326) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole
PubChem CID11710326
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(COC2CC3CCCN4CCc5c(n2c2ccccc52)C34)n1
InChIInChI=1S/C21H24N4O2/c1-13-22-18(27-23-13)12-26-19-11-14-5-4-9-24-10-8-16-15-6-2-3-7-17(15)25(19)21(16)20(14)24/h2-3,6-7,14,19-20H,4-5,8-12H2,1H3
InChIKeyCUNNMSTXGPNPHE-UHFFFAOYSA-N
XLogP3.76
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole (CID 11710326) is 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(COC2CC3CCCN4CCc5c(n2c2ccccc52)C34)n1.
What is the InChIKey of 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is CUNNMSTXGPNPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-22-18(27-23-13)12-26-19-11-14-5-4-9-24-10-8-16-15-6-2-3-7-17(15)25(19)21(16)20(14)24/h2-3,6-7,14,19-20H,4-5,8-12H2,1H3.
What are the key properties of 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole?
5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 364.45 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yloxymethyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 11710326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).