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

C18H17FN2O4 — CID 56823718

IUPAC3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1CC(O)COCc1ccccc1F
InChIInChI=1S/C18H17FN2O4/c19-16-9-5-4-8-14(16)11-24-12-15(22)10-21-18(23)25-17(20-21)13-6-2-1-3-7-13/h1-9,15,22H,10-12H2
InChIKeyYUEDAPXBWRTIAV-UHFFFAOYSA-N
MW344.34 g/mol
LogP2.22
Rot. Bonds7

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

3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one (PubChem CID 56823718) has the molecular formula C18H17FN2O4 and a molecular weight of 344.34 g/mol. Its IUPAC name is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
PubChem CID56823718
Molecular FormulaC18H17FN2O4
Molecular Weight344.34 g/mol
Exact Mass344.12
IUPAC Name3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2ccccc2)nn1CC(O)COCc1ccccc1F
InChIInChI=1S/C18H17FN2O4/c19-16-9-5-4-8-14(16)11-24-12-15(22)10-21-18(23)25-17(20-21)13-6-2-1-3-7-13/h1-9,15,22H,10-12H2
InChIKeyYUEDAPXBWRTIAV-UHFFFAOYSA-N
XLogP2.22
TPSA77.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-Fluorophenyl)-3-(oxan-2-ylmethyl)-1,3,4-oxadiazol-2-one
CID 42921245
3-[3-(4-Ethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 24246691
5-(4-Fluorophenyl)-3-[2-hydroxy-3-(2-propan-2-ylphenoxy)propyl]-1,3,4-oxadiazol-2-one
CID 42894874
5-(4-Fluorophenyl)-3-[2-hydroxy-3-(4-methylphenoxy)propyl]-1,3,4-oxadiazol-2-one
CID 45807103
3-[3-(4-Fluorophenoxy)-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 51108218
5-(4-Fluorophenyl)-3-(3-phenylprop-2-enyl)-1,3,4-oxadiazol-2-one
CID 72063116
3-[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 101559339
5-(4-fluorophenyl)-3-[(E)-3-phenylprop-2-enyl]-1,3,4-oxadiazol-2-one
CID 17434877
5-(4-Fluorophenyl)-3-(2-hydroxy-3-phenoxypropyl)-1,3,4-oxadiazol-2-one
CID 17518043
3-[3-[(4-Chlorophenyl)methoxy]-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 17532865
3-[(2S)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 25484208
3-[(2R)-3-(2,5-dimethylphenoxy)-2-hydroxypropyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 25484210

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one (CID 56823718) is 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one is O=c1oc(-c2ccccc2)nn1CC(O)COCc1ccccc1F.
What is the InChIKey of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one?
The InChIKey is YUEDAPXBWRTIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4/c19-16-9-5-4-8-14(16)11-24-12-15(22)10-21-18(23)25-17(20-21)13-6-2-1-3-7-13/h1-9,15,22H,10-12H2.
What are the key properties of 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one?
3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one has a molecular weight of 344.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluorophenyl)methoxy]-2-hydroxypropyl]-5-phenyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 56823718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).