3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one

C17H15FN2O4 — CID 51108218

IUPAC3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1CC(O)COc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4/c18-13-6-8-15(9-7-13)23-11-14(21)10-20-17(22)24-16(19-20)12-4-2-1-3-5-12/h1-9,14,21H,10-11H2
InChIKeyBVDBSJFYDWFHRI-UHFFFAOYSA-N
MW330.31 g/mol
LogP2.08
Rot. Bonds6

About 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one

3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 51108218) has the molecular formula C17H15FN2O4 and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID51108218
Molecular FormulaC17H15FN2O4
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1CC(O)COc1ccc(F)cc1
InChIInChI=1S/C17H15FN2O4/c18-13-6-8-15(9-7-13)23-11-14(21)10-20-17(22)24-16(19-20)12-4-2-1-3-5-12/h1-9,14,21H,10-11H2
InChIKeyBVDBSJFYDWFHRI-UHFFFAOYSA-N
XLogP2.08
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 51108218) is 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2)nn1CC(O)COc1ccc(F)cc1.
What is the InChIKey of 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is BVDBSJFYDWFHRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O4/c18-13-6-8-15(9-7-13)23-11-14(21)10-20-17(22)24-16(19-20)12-4-2-1-3-5-12/h1-9,14,21H,10-11H2.
What are the key properties of 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 330.31 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 51108218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).