4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one

C16H15ClFN5O5 — CID 139461576

IUPAC4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2nonc2OCCN2CCOCC2)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFN5O5/c17-11-9-10(1-2-12(11)18)23-14(20-27-16(23)24)13-15(21-28-19-13)26-8-5-22-3-6-25-7-4-22/h1-2,9H,3-8H2
InChIKeyAHDIZJGUSNDTOX-UHFFFAOYSA-N
MW411.78 g/mol
LogP1.38
Rot. Bonds6

About 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one

4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one (PubChem CID 139461576) has the molecular formula C16H15ClFN5O5 and a molecular weight of 411.78 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
PubChem CID139461576
Molecular FormulaC16H15ClFN5O5
Molecular Weight411.78 g/mol
Exact Mass411.07
IUPAC Name4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(-c2nonc2OCCN2CCOCC2)n1-c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H15ClFN5O5/c17-11-9-10(1-2-12(11)18)23-14(20-27-16(23)24)13-15(21-28-19-13)26-8-5-22-3-6-25-7-4-22/h1-2,9H,3-8H2
InChIKeyAHDIZJGUSNDTOX-UHFFFAOYSA-N
XLogP1.38
TPSA108.65 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.78
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

4-(3-Chloro-4-fluorophenyl)-3-(4-[(2-morpholin-4-ylethyl)amino]methyl-1,2,5-oxadiazol-3-yl)-1,2,4-oxadiazol-5(4H)-one
CID 58941938
Methyl 2-[2-[[4-[4-(3-chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]ethylamino]-2-oxoacetate
CID 139461497
2-[[4-[4-(3-Chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]ethylurea
CID 139461504
2-[[4-[4-(3-Chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]ethyl methanesulfonate
CID 139461505
4-(3-Chloro-4-fluorophenyl)-3-[4-(2-methylsulfonylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 139461510
3-[[4-[4-(3-Chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]propyl methanesulfonate
CID 139461511
3-[4-(1-Aminopropan-2-yloxy)-1,2,5-oxadiazol-3-yl]-4-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-one
CID 139461519
3-[2-[[4-[4-(3-Chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]ethylcarbamoyl]morpholine-4-carboxylic acid
CID 139461520
4-[[4-[4-(3-Chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]butanoic acid
CID 139461533
4-(3-Chloro-4-fluorophenyl)-3-[4-[2-(methylamino)ethoxy]-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one
CID 139461540
3-[2-[[4-[4-(3-Chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]ethylamino]-4-methoxycyclobut-3-ene-1,2-dione
CID 139461559
3-[[4-[4-(3-Chloro-4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-yl]oxy]propanoic acid
CID 139461560

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one (CID 139461576) is 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one is O=c1onc(-c2nonc2OCCN2CCOCC2)n1-c1ccc(F)c(Cl)c1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
The InChIKey is AHDIZJGUSNDTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN5O5/c17-11-9-10(1-2-12(11)18)23-14(20-27-16(23)24)13-15(21-28-19-13)26-8-5-22-3-6-25-7-4-22/h1-2,9H,3-8H2.
What are the key properties of 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one?
4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one has a molecular weight of 411.78 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-3-[4-(2-morpholin-4-ylethoxy)-1,2,5-oxadiazol-3-yl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 139461576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).