2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

C19H18FN3O2 — CID 110771800

IUPAC2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc2ncoc2c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H18FN3O2/c20-15-3-1-2-4-17(15)22-7-9-23(10-8-22)19(24)12-14-5-6-16-18(11-14)25-13-21-16/h1-6,11,13H,7-10,12H2
InChIKeyXAMPOMKEJKPXBB-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.86
Rot. Bonds3

About 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone

2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (PubChem CID 110771800) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
PubChem CID110771800
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccc2ncoc2c1)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C19H18FN3O2/c20-15-3-1-2-4-17(15)22-7-9-23(10-8-22)19(24)12-14-5-6-16-18(11-14)25-13-21-16/h1-6,11,13H,7-10,12H2
InChIKeyXAMPOMKEJKPXBB-UHFFFAOYSA-N
XLogP2.86
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 30147887
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CID 110802161
2-(1,3-benzoxazol-6-yl)-1-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethanone
CID 110801713
4-[2-(1,3-benzoxazol-6-yl)acetyl]-N-cyclohexylpiperazine-1-carboxamide
CID 110813129
N-[6-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-benzothiazol-2-yl]acetamide
CID 46289699
2-(4-chloro-2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 100751498
2-(4-fluorophenyl)-1-[4-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]ethanone
CID 37405024
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-morpholin-4-ylpropane-1,3-dione
CID 108943475
2-(1,3-benzoxazol-5-yl)-1-piperazin-1-ylethanone
CID 82497853
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(6-methyl-1-benzofuran-3-yl)ethanone
CID 18872277
2-(5-amino-2-pyridinyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone
CID 120639325
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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone (CID 110771800) is 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is O=C(Cc1ccc2ncoc2c1)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
The InChIKey is XAMPOMKEJKPXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-15-3-1-2-4-17(15)22-7-9-23(10-8-22)19(24)12-14-5-6-16-18(11-14)25-13-21-16/h1-6,11,13H,7-10,12H2.
What are the key properties of 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone?
2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone has a molecular weight of 339.37 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-6-yl)-1-[4-(2-fluorophenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110771800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).