5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole

C21H24N4O2 — CID 58856104

IUPAC5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(COC2C[C@@H]3CCCN4CCc5c(n2c2ccccc52)[C@@H]34)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/t14-,19?,20+/m0/s1
InChIKeyCUNNMSTXGPNPHE-XLDGYAMZSA-N
MW364.45 g/mol
LogP3.76
Rot. Bonds3

About 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole

5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 58856104) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID58856104
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(COC2C[C@@H]3CCCN4CCc5c(n2c2ccccc52)[C@@H]34)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/t14-,19?,20+/m0/s1
InChIKeyCUNNMSTXGPNPHE-XLDGYAMZSA-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-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole (CID 58856104) is 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(COC2C[C@@H]3CCCN4CCc5c(n2c2ccccc52)[C@@H]34)n1.
What is the InChIKey of 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is CUNNMSTXGPNPHE-XLDGYAMZSA-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/t14-,19?,20+/m0/s1.
What are the key properties of 5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole?
5-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-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-[[(15S,19R)-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]oxymethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 58856104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).