3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one

C20H18ClFN4O3 — CID 656224

IUPAC3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)noc1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18ClFN4O3/c21-15-7-5-14(6-8-15)19-23-29-20(28)26(19)13-18(27)25-11-9-24(10-12-25)17-4-2-1-3-16(17)22/h1-8H,9-13H2
InChIKeyYHSCCQVYIQDTCC-UHFFFAOYSA-N
MW416.84 g/mol
LogP2.64
Rot. Bonds4

About 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one

3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one (PubChem CID 656224) has the molecular formula C20H18ClFN4O3 and a molecular weight of 416.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one
PubChem CID656224
Molecular FormulaC20H18ClFN4O3
Molecular Weight416.84 g/mol
Exact Mass416.11
IUPAC Name3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one
SMILESO=C(Cn1c(-c2ccc(Cl)cc2)noc1=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C20H18ClFN4O3/c21-15-7-5-14(6-8-15)19-23-29-20(28)26(19)13-18(27)25-11-9-24(10-12-25)17-4-2-1-3-16(17)22/h1-8H,9-13H2
InChIKeyYHSCCQVYIQDTCC-UHFFFAOYSA-N
XLogP2.64
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.84
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one with MolForge

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[3-(4-fluorophenyl)-5-oxo-1,2,4-oxadiazol-4-yl]acetamide
CID 1434973
3-(4-Chlorophenyl)-4-phenyl-1,2,4-oxadiazol-5(4H)-one
CID 13043244
5-[(4-Chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one
CID 2732485
3-(2-(4-(3-chloro-4-fluorophenyl)piperazin-1-yl)-2-oxoethyl)-6-phenylpyrimidin-4(3H)-one
CID 25883889
3-(2-(4-(3-chlorophenyl)piperazin-1-yl)-2-oxoethyl)-6-(4-fluorophenyl)pyrimidin-4(3H)-one
CID 25884632
N1-(4-chlorobenzyl)-N2-(2-(4-(2-fluorophenyl)piperazin-1-yl)ethyl)oxalamide
CID 42269122
N-(5-chloro-2-methylphenyl)-2-[2-(4-fluorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]acetamide
CID 49807261
2-[2-(4-Chlorophenyl)-4-methyl-6-oxopyrimidin-1-YL]-N-(2-fluorophenyl)acetamide
CID 91887518
(5Z)-5-[(4-chlorophenyl)methylidene]-3-(4-fluorophenyl)-2-phenylimidazol-4-one
CID 5702434
2-[2-(4-Chlorophenyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL]-N-[4-(dimethylamino)phenyl]acetamide
CID 91887501
2-[2-(4-Chlorophenyl)-4-methyl-6-oxo-1,6-dihydropyrimidin-1-YL]-N-phenylacetamide
CID 91887521
6-(4-chlorophenyl)-2-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3(2H)-one
CID 49663047

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one (CID 656224) is 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one is O=C(Cn1c(-c2ccc(Cl)cc2)noc1=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one?
The InChIKey is YHSCCQVYIQDTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN4O3/c21-15-7-5-14(6-8-15)19-23-29-20(28)26(19)13-18(27)25-11-9-24(10-12-25)17-4-2-1-3-16(17)22/h1-8H,9-13H2.
What are the key properties of 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one?
3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one has a molecular weight of 416.84 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 656224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).