9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

C19H22N2O4 — CID 11537448

IUPAC9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCCOc1cc2c(cc1OC)C(c1ccno1)=NC1CCC(O)CC21
InChIInChI=1S/C19H22N2O4/c1-3-24-18-9-12-13-8-11(22)4-5-15(13)21-19(16-6-7-20-25-16)14(12)10-17(18)23-2/h6-7,9-11,13,15,22H,3-5,8H2,1-2H3
InChIKeyKLPTUSGAYSBOHW-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.93
Rot. Bonds4

About 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol

9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (PubChem CID 11537448) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.

Molecular Properties

Compound Name9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
PubChem CID11537448
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol
SMILESCCOc1cc2c(cc1OC)C(c1ccno1)=NC1CCC(O)CC21
InChIInChI=1S/C19H22N2O4/c1-3-24-18-9-12-13-8-11(22)4-5-15(13)21-19(16-6-7-20-25-16)14(12)10-17(18)23-2/h6-7,9-11,13,15,22H,3-5,8H2,1-2H3
InChIKeyKLPTUSGAYSBOHW-UHFFFAOYSA-N
XLogP2.93
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The IUPAC name of 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol (CID 11537448) is 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol.
What is the SMILES notation for 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The canonical SMILES for 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is CCOc1cc2c(cc1OC)C(c1ccno1)=NC1CCC(O)CC21.
What is the InChIKey of 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
The InChIKey is KLPTUSGAYSBOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-24-18-9-12-13-8-11(22)4-5-15(13)21-19(16-6-7-20-25-16)14(12)10-17(18)23-2/h6-7,9-11,13,15,22H,3-5,8H2,1-2H3.
What are the key properties of 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol?
9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol has a molecular weight of 342.40 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethoxy-8-methoxy-6-(1,2-oxazol-5-yl)-1,2,3,4,4a,10b-hexahydrophenanthridin-2-ol is sourced from PubChem (CID 11537448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).