5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one

C22H15FN2O4 — CID 38841795

IUPAC5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H15FN2O4/c23-17-10-6-16(7-11-17)21-24-25(22(27)29-21)14-20(26)15-8-12-19(13-9-15)28-18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyNRTRSBWKYIWPBF-UHFFFAOYSA-N
MW390.37 g/mol
LogP4.32
Rot. Bonds6

About 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one

5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one (PubChem CID 38841795) has the molecular formula C22H15FN2O4 and a molecular weight of 390.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
PubChem CID38841795
Molecular FormulaC22H15FN2O4
Molecular Weight390.37 g/mol
Exact Mass390.10
IUPAC Name5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
SMILESO=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H15FN2O4/c23-17-10-6-16(7-11-17)21-24-25(22(27)29-21)14-20(26)15-8-12-19(13-9-15)28-18-4-2-1-3-5-18/h1-13H,14H2
InChIKeyNRTRSBWKYIWPBF-UHFFFAOYSA-N
XLogP4.32
TPSA74.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-3-[2-(4-iodophenyl)-2-oxoethyl]-1,3,4-oxadiazol-2-one
CID 46638792
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46608621
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-phenylacetamide
CID 17405547
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N'-methyl-N'-phenylacetohydrazide
CID 9480149
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 27040470
N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359
N-benzyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(2-methoxyethyl)acetamide
CID 17435515
3-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3833357

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one (CID 38841795) is 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one is O=C(Cn1nc(-c2ccc(F)cc2)oc1=O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one?
The InChIKey is NRTRSBWKYIWPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15FN2O4/c23-17-10-6-16(7-11-17)21-24-25(22(27)29-21)14-20(26)15-8-12-19(13-9-15)28-18-4-2-1-3-5-18/h1-13H,14H2.
What are the key properties of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one?
5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one has a molecular weight of 390.37 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 38841795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).