5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one

C16H13FN2O5 — CID 155949548

IUPAC5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1OCc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C16H13FN2O5/c17-11-3-1-2-10(4-11)5-15-18-16(24-19-15)9-23-14-8-22-12(7-20)6-13(14)21/h1-4,6,8,20H,5,7,9H2
InChIKeyLHVMJNPRWRARNG-UHFFFAOYSA-N
MW332.29 g/mol
LogP1.82
Rot. Bonds6

About 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one

5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one (PubChem CID 155949548) has the molecular formula C16H13FN2O5 and a molecular weight of 332.29 g/mol. Its IUPAC name is 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one.

Molecular Properties

Compound Name5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one
PubChem CID155949548
Molecular FormulaC16H13FN2O5
Molecular Weight332.29 g/mol
Exact Mass332.08
IUPAC Name5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one
SMILESO=c1cc(CO)occ1OCc1nc(Cc2cccc(F)c2)no1
InChIInChI=1S/C16H13FN2O5/c17-11-3-1-2-10(4-11)5-15-18-16(24-19-15)9-23-14-8-22-12(7-20)6-13(14)21/h1-4,6,8,20H,5,7,9H2
InChIKeyLHVMJNPRWRARNG-UHFFFAOYSA-N
XLogP1.82
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one with MolForge

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Related Compounds

5-(azetidin-3-yloxymethyl)-3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893907
2-(hydroxymethyl)-5-[[3-(trifluoromethyl)phenyl]methoxy]pyran-4-one
CID 4586138
3-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65345653
3-(chloromethyl)-5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole
CID 43120187
[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-phenylmethanol
CID 63846811
1-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 63350334
[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methanol
CID 63757779
3-benzyl-5-[[4-nitro-2-(trifluoromethyl)phenoxy]methyl]-1,2,4-oxadiazole
CID 47771929
5-(2-hydroxyethoxy)-2-(hydroxymethyl)pyran-4-one
CID 79872385
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanol
CID 28782950
4-[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]benzene-1,2-diol
CID 136904425
5-[(2,4-difluorophenoxy)methyl]-3-(methylsulfanylmethyl)-1,2,4-oxadiazole
CID 72907937

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one?
The IUPAC name of 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one (CID 155949548) is 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one.
What is the SMILES notation for 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one?
The canonical SMILES for 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one is O=c1cc(CO)occ1OCc1nc(Cc2cccc(F)c2)no1.
What is the InChIKey of 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one?
The InChIKey is LHVMJNPRWRARNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O5/c17-11-3-1-2-10(4-11)5-15-18-16(24-19-15)9-23-14-8-22-12(7-20)6-13(14)21/h1-4,6,8,20H,5,7,9H2.
What are the key properties of 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one?
5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one has a molecular weight of 332.29 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methoxy]-2-(hydroxymethyl)pyran-4-one is sourced from PubChem (CID 155949548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).