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

C20H19FN4O3 — CID 53180479

IUPAC5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19FN4O3/c21-16-6-4-15(5-7-16)17-13-25(20(27)28-17)14-19(26)24-11-9-23(10-12-24)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
InChIKeyOBWSHVOTZBRKMQ-UHFFFAOYSA-N
MW382.40 g/mol
LogP1.99
Rot. Bonds4

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

5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one (PubChem CID 53180479) has the molecular formula C20H19FN4O3 and a molecular weight of 382.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
PubChem CID53180479
Molecular FormulaC20H19FN4O3
Molecular Weight382.40 g/mol
Exact Mass382.14
IUPAC Name5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
SMILESO=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H19FN4O3/c21-16-6-4-15(5-7-16)17-13-25(20(27)28-17)14-19(26)24-11-9-23(10-12-24)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2
InChIKeyOBWSHVOTZBRKMQ-UHFFFAOYSA-N
XLogP1.99
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one with MolForge

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Related Compounds

2-[4-(4-fluorophenyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 71801682
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 51193185
3-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-5-(4-fluorophenyl)-1,3-oxazol-2-one
CID 53180493
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
N-(4-fluorophenyl)-2-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]sulfanylacetamide
CID 51143754
5-methoxy-2-methyl-1-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]pyridin-4-one
CID 91639229
1-piperazin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119402906
1-methyl-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-2-one
CID 51320635
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
(4R)-4-(4-fluorophenyl)-1-methyl-6-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 93004476
4-(4-fluorophenyl)-5-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride
CID 23328989
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one?
The IUPAC name of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one (CID 53180479) is 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one is O=C(Cn1cc(-c2ccc(F)cc2)oc1=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one?
The InChIKey is OBWSHVOTZBRKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O3/c21-16-6-4-15(5-7-16)17-13-25(20(27)28-17)14-19(26)24-11-9-23(10-12-24)18-3-1-2-8-22-18/h1-8,13H,9-12,14H2.
What are the key properties of 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one?
5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one has a molecular weight of 382.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one is sourced from PubChem (CID 53180479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).