1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one

C23H24FN3O2 — CID 158828969

IUPAC1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1
InChIInChI=1S/C23H24FN3O2/c1-17(28)15-18-7-8-21(20(24)16-18)26-10-12-27(13-11-26)22(23-25-9-14-29-23)19-5-3-2-4-6-19/h2-9,14,16,22H,10-13,15H2,1H3
InChIKeyIWUNQPHHIAUCPG-UHFFFAOYSA-N
MW393.46 g/mol
LogP3.86
Rot. Bonds6

About 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one

1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one (PubChem CID 158828969) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one
PubChem CID158828969
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1
InChIInChI=1S/C23H24FN3O2/c1-17(28)15-18-7-8-21(20(24)16-18)26-10-12-27(13-11-26)22(23-25-9-14-29-23)19-5-3-2-4-6-19/h2-9,14,16,22H,10-13,15H2,1H3
InChIKeyIWUNQPHHIAUCPG-UHFFFAOYSA-N
XLogP3.86
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one?
The IUPAC name of 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one (CID 158828969) is 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one.
What is the SMILES notation for 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one?
The canonical SMILES for 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one is CC(=O)Cc1ccc(N2CCN(C(c3ccccc3)c3ncco3)CC2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one?
The InChIKey is IWUNQPHHIAUCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-17(28)15-18-7-8-21(20(24)16-18)26-10-12-27(13-11-26)22(23-25-9-14-29-23)19-5-3-2-4-6-19/h2-9,14,16,22H,10-13,15H2,1H3.
What are the key properties of 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one?
1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one has a molecular weight of 393.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-[4-[1,3-oxazol-2-yl(phenyl)methyl]piperazin-1-yl]phenyl]propan-2-one is sourced from PubChem (CID 158828969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).