2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C18H13FN4O5 — CID 10643724

IUPAC2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(OCc3noc(-c4ccc(F)cc4)n3)c2)o1
InChIInChI=1S/C18H13FN4O5/c19-13-6-4-12(5-7-13)16-20-15(22-27-16)10-26-14-3-1-2-11(8-14)9-23-17(24)21-18(25)28-23/h1-8H,9-10H2,(H,21,24,25)
InChIKeyYYQZQHUGCTXUMS-UHFFFAOYSA-N
MW384.32 g/mol
LogP1.95
Rot. Bonds6

About 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 10643724) has the molecular formula C18H13FN4O5 and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID10643724
Molecular FormulaC18H13FN4O5
Molecular Weight384.32 g/mol
Exact Mass384.09
IUPAC Name2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2cccc(OCc3noc(-c4ccc(F)cc4)n3)c2)o1
InChIInChI=1S/C18H13FN4O5/c19-13-6-4-12(5-7-13)16-20-15(22-27-16)10-26-14-3-1-2-11(8-14)9-23-17(24)21-18(25)28-23/h1-8H,9-10H2,(H,21,24,25)
InChIKeyYYQZQHUGCTXUMS-UHFFFAOYSA-N
XLogP1.95
TPSA116.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 10643724) is 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2cccc(OCc3noc(-c4ccc(F)cc4)n3)c2)o1.
What is the InChIKey of 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is YYQZQHUGCTXUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O5/c19-13-6-4-12(5-7-13)16-20-15(22-27-16)10-26-14-3-1-2-11(8-14)9-23-17(24)21-18(25)28-23/h1-8H,9-10H2,(H,21,24,25).
What are the key properties of 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 384.32 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methoxy]phenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 10643724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).