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

C21H20FN3O3 — CID 53180395

IUPAC3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one
SMILESO=C(Cn1cc(-c2ccccc2)oc1=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O3/c22-17-6-8-18(9-7-17)23-10-12-24(13-11-23)20(26)15-25-14-19(28-21(25)27)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKeyUKNVNUSSCAVNAK-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.60
Rot. Bonds4

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

3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one (PubChem CID 53180395) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one.

Molecular Properties

Compound Name3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one
PubChem CID53180395
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one
SMILESO=C(Cn1cc(-c2ccccc2)oc1=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H20FN3O3/c22-17-6-8-18(9-7-17)23-10-12-24(13-11-23)20(26)15-25-14-19(28-21(25)27)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2
InChIKeyUKNVNUSSCAVNAK-UHFFFAOYSA-N
XLogP2.60
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[2-(4-fluoroanilino)-2-oxoethyl]carbamate
CID 24207949
4-[4-(benzyloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10179120
2-(Benzyloxy)-1-(4-(2,4-difluorophenyl)piperazin-1-yl)ethanone
CID 24762955
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
3-[3-(2-Fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25181744
6-Allyl-3-(2',4'-difluorobiphenyl-3-yl)-6-phenyl-1,3-oxazinan-2-one
CID 25182139
6-Methyl-3,6-diphenyl-1,3-oxazinan-2-one
CID 25183315
3-[3-(4-Fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 25183604
1-{4-[[2-(Diethylamino)ethyl](methyl)amino]phenyl}-4-(benzyloxy)-pyridin-2(1H)-one
CID 53318595
3-[3-(3-Fluorophenyl)phenyl]-6-methyl-6-phenyl-1,3-oxazinan-2-one
CID 53474286
[3-[4-(2-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281637
[1-Phenyl-3-(4-phenylpiperazin-1-yl)propyl] carbamate
CID 67281861

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one?
The IUPAC name of 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one (CID 53180395) is 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one.
What is the SMILES notation for 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one?
The canonical SMILES for 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one is O=C(Cn1cc(-c2ccccc2)oc1=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one?
The InChIKey is UKNVNUSSCAVNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-17-6-8-18(9-7-17)23-10-12-24(13-11-23)20(26)15-25-14-19(28-21(25)27)16-4-2-1-3-5-16/h1-9,14H,10-13,15H2.
What are the key properties of 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one?
3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one has a molecular weight of 381.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3-oxazol-2-one is sourced from PubChem (CID 53180395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).