3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one

C22H21F2N3O2 — CID 71839759

IUPAC3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1conc1-c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21F2N3O2/c23-18-4-1-16(2-5-18)22-17(15-29-25-22)3-10-21(28)27-13-11-26(12-14-27)20-8-6-19(24)7-9-20/h1-2,4-9,15H,3,10-14H2
InChIKeyFSWNPHNYZIPYIP-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.90
Rot. Bonds5

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

3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (PubChem CID 71839759) has the molecular formula C22H21F2N3O2 and a molecular weight of 397.43 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
PubChem CID71839759
Molecular FormulaC22H21F2N3O2
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1conc1-c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C22H21F2N3O2/c23-18-4-1-16(2-5-18)22-17(15-29-25-22)3-10-21(28)27-13-11-26(12-14-27)20-8-6-19(24)7-9-20/h1-2,4-9,15H,3,10-14H2
InChIKeyFSWNPHNYZIPYIP-UHFFFAOYSA-N
XLogP3.90
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(3-phenyl-1,2-oxazol-4-yl)propan-1-one
CID 71839863
3-(3-phenyl-1,2-oxazol-4-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 71839862
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(4-iodophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100764370
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 110853293
4-[4-(4-fluorophenyl)piperazin-1-yl]-4-oxobutanenitrile
CID 82121619
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967203
3-(4-ethylphenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 41448906
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
3-(4-fluorophenyl)-4-(2-piperidin-1-ylethyl)-1,2-oxazole
CID 75204034
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 8967237
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 9269371
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one (CID 71839759) is 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is O=C(CCc1conc1-c1ccc(F)cc1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
The InChIKey is FSWNPHNYZIPYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O2/c23-18-4-1-16(2-5-18)22-17(15-29-25-22)3-10-21(28)27-13-11-26(12-14-27)20-8-6-19(24)7-9-20/h1-2,4-9,15H,3,10-14H2.
What are the key properties of 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one?
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one has a molecular weight of 397.43 g/mol, XLogP of 3.90, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71839759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).