4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one

C23H21FN4O4 — CID 10160175

IUPAC4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
SMILESO=c1on(CCNCCO)c(-c2ccnc(Oc3ccccc3)n2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O4/c24-17-8-6-16(7-9-17)20-21(28(32-22(20)30)14-12-25-13-15-29)19-10-11-26-23(27-19)31-18-4-2-1-3-5-18/h1-11,25,29H,12-15H2
InChIKeyIGFSWHHVLYVKNE-UHFFFAOYSA-N
MW436.44 g/mol
LogP3.08
Rot. Bonds9

About 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one

4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one (PubChem CID 10160175) has the molecular formula C23H21FN4O4 and a molecular weight of 436.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one.

Molecular Properties

Compound Name4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
PubChem CID10160175
Molecular FormulaC23H21FN4O4
Molecular Weight436.44 g/mol
Exact Mass436.15
IUPAC Name4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one
SMILESO=c1on(CCNCCO)c(-c2ccnc(Oc3ccccc3)n2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H21FN4O4/c24-17-8-6-16(7-9-17)20-21(28(32-22(20)30)14-12-25-13-15-29)19-10-11-26-23(27-19)31-18-4-2-1-3-5-18/h1-11,25,29H,12-15H2
InChIKeyIGFSWHHVLYVKNE-UHFFFAOYSA-N
XLogP3.08
TPSA102.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-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 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The IUPAC name of 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one (CID 10160175) is 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one.
What is the SMILES notation for 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The canonical SMILES for 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one is O=c1on(CCNCCO)c(-c2ccnc(Oc3ccccc3)n2)c1-c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
The InChIKey is IGFSWHHVLYVKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O4/c24-17-8-6-16(7-9-17)20-21(28(32-22(20)30)14-12-25-13-15-29)19-10-11-26-23(27-19)31-18-4-2-1-3-5-18/h1-11,25,29H,12-15H2.
What are the key properties of 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one?
4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one has a molecular weight of 436.44 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-2-[2-(2-hydroxyethylamino)ethyl]-3-(2-phenoxypyrimidin-4-yl)-1,2-oxazol-5-one is sourced from PubChem (CID 10160175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).