2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

C24H16F2N4O8 — CID 19038501

IUPAC2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Oc3cccc(Oc4ccc(Cn5oc(=O)[nH]c5=O)cc4F)c3)c(F)c2)o1
InChIInChI=1S/C24H16F2N4O8/c25-17-8-13(11-29-21(31)27-23(33)37-29)4-6-19(17)35-15-2-1-3-16(10-15)36-20-7-5-14(9-18(20)26)12-30-22(32)28-24(34)38-30/h1-10H,11-12H2,(H,27,31,33)(H,28,32,34)
InChIKeyMFMMBSYWFYMTKQ-UHFFFAOYSA-N
MW526.41 g/mol
LogP2.53
Rot. Bonds8

About 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione

2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (PubChem CID 19038501) has the molecular formula C24H16F2N4O8 and a molecular weight of 526.41 g/mol. Its IUPAC name is 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.

Molecular Properties

Compound Name2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
PubChem CID19038501
Molecular FormulaC24H16F2N4O8
Molecular Weight526.41 g/mol
Exact Mass526.09
IUPAC Name2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(Oc3cccc(Oc4ccc(Cn5oc(=O)[nH]c5=O)cc4F)c3)c(F)c2)o1
InChIInChI=1S/C24H16F2N4O8/c25-17-8-13(11-29-21(31)27-23(33)37-29)4-6-19(17)35-15-2-1-3-16(10-15)36-20-7-5-14(9-18(20)26)12-30-22(32)28-24(34)38-30/h1-10H,11-12H2,(H,27,31,33)(H,28,32,34)
InChIKeyMFMMBSYWFYMTKQ-UHFFFAOYSA-N
XLogP2.53
TPSA154.46 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione with MolForge

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Related Compounds

CID 9890786
CID 9890786
CID 11364706
CID 11364706
CID 11387539
CID 11387539
CID 19038424
CID 19038424
CID 19038448
CID 19038448
CID 19038462
CID 19038462
CID 19038468
CID 19038468
CID 57787302
CID 57787302
CID 57787309
CID 57787309
CID 57787326
CID 57787326
CID 57787631
CID 57787631
CID 57787696
CID 57787696

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The IUPAC name of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione (CID 19038501) is 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione.
What is the SMILES notation for 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The canonical SMILES for 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is O=c1[nH]c(=O)n(Cc2ccc(Oc3cccc(Oc4ccc(Cn5oc(=O)[nH]c5=O)cc4F)c3)c(F)c2)o1.
What is the InChIKey of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
The InChIKey is MFMMBSYWFYMTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4O8/c25-17-8-13(11-29-21(31)27-23(33)37-29)4-6-19(17)35-15-2-1-3-16(10-15)36-20-7-5-14(9-18(20)26)12-30-22(32)28-24(34)38-30/h1-10H,11-12H2,(H,27,31,33)(H,28,32,34).
What are the key properties of 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione?
2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione has a molecular weight of 526.41 g/mol, XLogP of 2.53, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-[4-[(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)methyl]-2-fluorophenoxy]phenoxy]-3-fluorophenyl]methyl]-1,2,4-oxadiazolidine-3,5-dione is sourced from PubChem (CID 19038501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).