5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole

C18H20N2O3 — CID 22493440

IUPAC5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole
SMILESCOc1cc2c(cc1OC)C1CCCCC1N=C2c1ccno1
InChIInChI=1S/C18H20N2O3/c1-21-16-9-12-11-5-3-4-6-14(11)20-18(15-7-8-19-23-15)13(12)10-17(16)22-2/h7-11,14H,3-6H2,1-2H3
InChIKeyZPXXNKHXYVOJMX-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.57
Rot. Bonds3

About 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole

5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole (PubChem CID 22493440) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole.

Molecular Properties

Compound Name5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole
PubChem CID22493440
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole
SMILESCOc1cc2c(cc1OC)C1CCCCC1N=C2c1ccno1
InChIInChI=1S/C18H20N2O3/c1-21-16-9-12-11-5-3-4-6-14(11)20-18(15-7-8-19-23-15)13(12)10-17(16)22-2/h7-11,14H,3-6H2,1-2H3
InChIKeyZPXXNKHXYVOJMX-UHFFFAOYSA-N
XLogP3.57
TPSA56.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole?
The IUPAC name of 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole (CID 22493440) is 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole.
What is the SMILES notation for 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole?
The canonical SMILES for 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole is COc1cc2c(cc1OC)C1CCCCC1N=C2c1ccno1.
What is the InChIKey of 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole?
The InChIKey is ZPXXNKHXYVOJMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-21-16-9-12-11-5-3-4-6-14(11)20-18(15-7-8-19-23-15)13(12)10-17(16)22-2/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole?
5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole has a molecular weight of 312.37 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8,9-dimethoxy-1,2,3,4,4a,10b-hexahydrophenanthridin-6-yl)-1,2-oxazole is sourced from PubChem (CID 22493440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).