5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one

C20H21FN2O4 — CID 42894874

IUPAC5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)c1ccccc1OCC(O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C20H21FN2O4/c1-13(2)17-5-3-4-6-18(17)26-12-16(24)11-23-20(25)27-19(22-23)14-7-9-15(21)10-8-14/h3-10,13,16,24H,11-12H2,1-2H3
InChIKeyRKVQZMKNFFMKQZ-UHFFFAOYSA-N
MW372.40 g/mol
LogP3.21
Rot. Bonds7

About 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one (PubChem CID 42894874) has the molecular formula C20H21FN2O4 and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one
PubChem CID42894874
Molecular FormulaC20H21FN2O4
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one
SMILESCC(C)c1ccccc1OCC(O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C20H21FN2O4/c1-13(2)17-5-3-4-6-18(17)26-12-16(24)11-23-20(25)27-19(22-23)14-7-9-15(21)10-8-14/h3-10,13,16,24H,11-12H2,1-2H3
InChIKeyRKVQZMKNFFMKQZ-UHFFFAOYSA-N
XLogP3.21
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-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 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one (CID 42894874) is 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one is CC(C)c1ccccc1OCC(O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one?
The InChIKey is RKVQZMKNFFMKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O4/c1-13(2)17-5-3-4-6-18(17)26-12-16(24)11-23-20(25)27-19(22-23)14-7-9-15(21)10-8-14/h3-10,13,16,24H,11-12H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one has a molecular weight of 372.40 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 42894874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).