5-[(15,17-dimethyl-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

C23H28N4O2 — CID 71199390

IUPAC5-[(15,17-dimethyl-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(COC2(C)CC3(C)CCCN4CCc5c(n2c2ccccc52)C43)n1
InChIInChI=1S/C23H28N4O2/c1-15-24-19(29-25-15)13-28-23(3)14-22(2)10-6-11-26-12-9-17-16-7-4-5-8-18(16)27(23)20(17)21(22)26/h4-5,7-8,21H,6,9-14H2,1-3H3
InChIKeyNUVWPJDQGAOAPG-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.33
Rot. Bonds3

About 5-[(15,17-dimethyl-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-[(15,17-dimethyl-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 71199390) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 5-[(15,17-dimethyl-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-[(15,17-dimethyl-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 CID71199390
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name5-[(15,17-dimethyl-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(COC2(C)CC3(C)CCCN4CCc5c(n2c2ccccc52)C43)n1
InChIInChI=1S/C23H28N4O2/c1-15-24-19(29-25-15)13-28-23(3)14-22(2)10-6-11-26-12-9-17-16-7-4-5-8-18(16)27(23)20(17)21(22)26/h4-5,7-8,21H,6,9-14H2,1-3H3
InChIKeyNUVWPJDQGAOAPG-UHFFFAOYSA-N
XLogP4.33
TPSA56.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[(15,17-dimethyl-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-[(15,17-dimethyl-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-[(15,17-dimethyl-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 71199390) is 5-[(15,17-dimethyl-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-[(15,17-dimethyl-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-[(15,17-dimethyl-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(COC2(C)CC3(C)CCCN4CCc5c(n2c2ccccc52)C43)n1.
What is the InChIKey of 5-[(15,17-dimethyl-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 NUVWPJDQGAOAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-15-24-19(29-25-15)13-28-23(3)14-22(2)10-6-11-26-12-9-17-16-7-4-5-8-18(16)27(23)20(17)21(22)26/h4-5,7-8,21H,6,9-14H2,1-3H3.
What are the key properties of 5-[(15,17-dimethyl-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-[(15,17-dimethyl-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 392.50 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(15,17-dimethyl-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 71199390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).