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

C19H18FN3O3 — CID 37377715

IUPAC[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C19H18FN3O3/c20-15-4-1-3-14(11-15)18-21-16(13-26-18)12-22-6-8-23(9-7-22)19(24)17-5-2-10-25-17/h1-5,10-11,13H,6-9,12H2
InChIKeyREEPWVSVFJAFMA-UHFFFAOYSA-N
MW355.37 g/mol
LogP3.03
Rot. Bonds4

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

[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 37377715) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is [4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID37377715
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name[4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1
InChIInChI=1S/C19H18FN3O3/c20-15-4-1-3-14(11-15)18-21-16(13-26-18)12-22-6-8-23(9-7-22)19(24)17-5-2-10-25-17/h1-5,10-11,13H,6-9,12H2
InChIKeyREEPWVSVFJAFMA-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

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone (CID 37377715) is [4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(Cc2coc(-c3cccc(F)c3)n2)CC1.
What is the InChIKey of [4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is REEPWVSVFJAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c20-15-4-1-3-14(11-15)18-21-16(13-26-18)12-22-6-8-23(9-7-22)19(24)17-5-2-10-25-17/h1-5,10-11,13H,6-9,12H2.
What are the key properties of [4-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone?
[4-[[2-(3-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-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 37377715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).