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

C15H16FN3O2 — CID 110853293

IUPAC1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
SMILESO=C(Cc1ccon1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FN3O2/c16-12-1-3-14(4-2-12)18-6-8-19(9-7-18)15(20)11-13-5-10-21-17-13/h1-5,10H,6-9,11H2
InChIKeyQZCFJMQCRLDJIZ-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.71
Rot. Bonds3

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

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone (PubChem CID 110853293) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
PubChem CID110853293
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
SMILESO=C(Cc1ccon1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C15H16FN3O2/c16-12-1-3-14(4-2-12)18-6-8-19(9-7-18)15(20)11-13-5-10-21-17-13/h1-5,10H,6-9,11H2
InChIKeyQZCFJMQCRLDJIZ-UHFFFAOYSA-N
XLogP1.71
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-2-ylethanone
CID 110696933
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-4-ylethanone
CID 110697261
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(1,2-oxazol-3-yl)ethanone
CID 136511539
3-[3-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 71839759
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-morpholin-4-ylethanone
CID 110688043
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386604
2-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]-1-[4-(4-nitrophenyl)piperazin-1-yl]ethanone
CID 16557193
1-(4-fluorophenyl)-3-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]urea
CID 41159439
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 41160012

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The IUPAC name of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone (CID 110853293) is 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone.
What is the SMILES notation for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The canonical SMILES for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone is O=C(Cc1ccon1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
The InChIKey is QZCFJMQCRLDJIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-12-1-3-14(4-2-12)18-6-8-19(9-7-18)15(20)11-13-5-10-21-17-13/h1-5,10H,6-9,11H2.
What are the key properties of 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone?
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone has a molecular weight of 289.31 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1,2-oxazol-3-yl)ethanone is sourced from PubChem (CID 110853293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).