7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one

C19H14FNO4 — CID 134132929

IUPAC7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCC3CC(c4ccc(F)cc4)=NO3)cc2o1
InChIInChI=1S/C19H14FNO4/c20-14-5-1-12(2-6-14)17-9-16(25-21-17)11-23-15-7-3-13-4-8-19(22)24-18(13)10-15/h1-8,10,16H,9,11H2
InChIKeyKMGHUSGIHILLLC-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.50
Rot. Bonds4

About 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one

7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one (PubChem CID 134132929) has the molecular formula C19H14FNO4 and a molecular weight of 339.32 g/mol. Its IUPAC name is 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one.

Molecular Properties

Compound Name7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one
PubChem CID134132929
Molecular FormulaC19H14FNO4
Molecular Weight339.32 g/mol
Exact Mass339.09
IUPAC Name7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one
SMILESO=c1ccc2ccc(OCC3CC(c4ccc(F)cc4)=NO3)cc2o1
InChIInChI=1S/C19H14FNO4/c20-14-5-1-12(2-6-14)17-9-16(25-21-17)11-23-15-7-3-13-4-8-19(22)24-18(13)10-15/h1-8,10,16H,9,11H2
InChIKeyKMGHUSGIHILLLC-UHFFFAOYSA-N
XLogP3.50
TPSA61.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one 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 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one?
The IUPAC name of 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one (CID 134132929) is 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one.
What is the SMILES notation for 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one?
The canonical SMILES for 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one is O=c1ccc2ccc(OCC3CC(c4ccc(F)cc4)=NO3)cc2o1.
What is the InChIKey of 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one?
The InChIKey is KMGHUSGIHILLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4/c20-14-5-1-12(2-6-14)17-9-16(25-21-17)11-23-15-7-3-13-4-8-19(22)24-18(13)10-15/h1-8,10,16H,9,11H2.
What are the key properties of 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one?
7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one has a molecular weight of 339.32 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(4-fluorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]chromen-2-one is sourced from PubChem (CID 134132929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).