[4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

C19H18FN3O3 — CID 56676558

IUPAC[4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2coc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C19H18FN3O3/c20-16-5-2-1-4-15(16)18-21-14(13-26-18)12-22-7-9-23(10-8-22)19(24)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2
InChIKeyGLTBGIINPXEMLT-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.03
Rot. Bonds4

About [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone

[4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 56676558) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID56676558
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name[4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2coc(-c3ccccc3F)n2)CC1
InChIInChI=1S/C19H18FN3O3/c20-16-5-2-1-4-15(16)18-21-14(13-26-18)12-22-7-9-23(10-8-22)19(24)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2
InChIKeyGLTBGIINPXEMLT-UHFFFAOYSA-N
XLogP3.03
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 56676558) is [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2coc(-c3ccccc3F)n2)CC1.
What is the InChIKey of [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is GLTBGIINPXEMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-16-5-2-1-4-15(16)18-21-14(13-26-18)12-22-7-9-23(10-8-22)19(24)17-6-3-11-25-17/h1-6,11,13H,7-10,12H2.
What are the key properties of [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 355.37 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 56676558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).