5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione

C19H19FN2O4 — CID 118908027

IUPAC5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione
SMILESO=C1c2c(O)c(=O)c3c(n2CCN1Cc1ccc(F)cc1)COCCC3
InChIInChI=1S/C19H19FN2O4/c20-13-5-3-12(4-6-13)10-21-7-8-22-15-11-26-9-1-2-14(15)17(23)18(24)16(22)19(21)25/h3-6,24H,1-2,7-11H2
InChIKeyMHDOPRZJSOAEIZ-UHFFFAOYSA-N
MW358.37 g/mol
LogP1.81
Rot. Bonds2

About 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione

5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione (PubChem CID 118908027) has the molecular formula C19H19FN2O4 and a molecular weight of 358.37 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione
PubChem CID118908027
Molecular FormulaC19H19FN2O4
Molecular Weight358.37 g/mol
Exact Mass358.13
IUPAC Name5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione
SMILESO=C1c2c(O)c(=O)c3c(n2CCN1Cc1ccc(F)cc1)COCCC3
InChIInChI=1S/C19H19FN2O4/c20-13-5-3-12(4-6-13)10-21-7-8-22-15-11-26-9-1-2-14(15)17(23)18(24)16(22)19(21)25/h3-6,24H,1-2,7-11H2
InChIKeyMHDOPRZJSOAEIZ-UHFFFAOYSA-N
XLogP1.81
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione (CID 118908027) is 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione is O=C1c2c(O)c(=O)c3c(n2CCN1Cc1ccc(F)cc1)COCCC3.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione?
The InChIKey is MHDOPRZJSOAEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4/c20-13-5-3-12(4-6-13)10-21-7-8-22-15-11-26-9-1-2-14(15)17(23)18(24)16(22)19(21)25/h3-6,24H,1-2,7-11H2.
What are the key properties of 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione?
5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione has a molecular weight of 358.37 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-8-hydroxy-14-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),7-diene-6,9-dione is sourced from PubChem (CID 118908027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).