5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one

C21H20FN3O3 — CID 53180520

IUPAC5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20FN3O3/c22-17-8-6-16(7-9-17)19-14-25(21(27)28-19)15-20(26)24-12-10-23(11-13-24)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChIKeyZDMGCUCVWFSXDM-UHFFFAOYSA-N
MW381.41 g/mol
LogP2.60
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one

5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one (PubChem CID 53180520) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
PubChem CID53180520
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H20FN3O3/c22-17-8-6-16(7-9-17)19-14-25(21(27)28-19)15-20(26)24-12-10-23(11-13-24)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2
InChIKeyZDMGCUCVWFSXDM-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one (CID 53180520) is 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one?
The InChIKey is ZDMGCUCVWFSXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-17-8-6-16(7-9-17)19-14-25(21(27)28-19)15-20(26)24-12-10-23(11-13-24)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2.
What are the key properties of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one?
5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-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 5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one is sourced from PubChem (CID 53180520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).