3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole

C17H19FN4O3 — CID 22022977

IUPAC3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole
SMILESFc1cc(C2=NOC(COc3ccon3)C2)ccc1N1CCNCC1
InChIInChI=1S/C17H19FN4O3/c18-14-9-12(1-2-16(14)22-6-4-19-5-7-22)15-10-13(25-20-15)11-23-17-3-8-24-21-17/h1-3,8-9,13,19H,4-7,10-11H2
InChIKeyZPFCUQQCTBBBHJ-UHFFFAOYSA-N
MW346.36 g/mol
LogP1.80
Rot. Bonds5

About 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole

3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole (PubChem CID 22022977) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole.

Molecular Properties

Compound Name3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole
PubChem CID22022977
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole
SMILESFc1cc(C2=NOC(COc3ccon3)C2)ccc1N1CCNCC1
InChIInChI=1S/C17H19FN4O3/c18-14-9-12(1-2-16(14)22-6-4-19-5-7-22)15-10-13(25-20-15)11-23-17-3-8-24-21-17/h1-3,8-9,13,19H,4-7,10-11H2
InChIKeyZPFCUQQCTBBBHJ-UHFFFAOYSA-N
XLogP1.80
TPSA72.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole?
The IUPAC name of 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole (CID 22022977) is 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole.
What is the SMILES notation for 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole?
The canonical SMILES for 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole is Fc1cc(C2=NOC(COc3ccon3)C2)ccc1N1CCNCC1.
What is the InChIKey of 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole?
The InChIKey is ZPFCUQQCTBBBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c18-14-9-12(1-2-16(14)22-6-4-19-5-7-22)15-10-13(25-20-15)11-23-17-3-8-24-21-17/h1-3,8-9,13,19H,4-7,10-11H2.
What are the key properties of 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole?
3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole has a molecular weight of 346.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3-fluoro-4-piperazin-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-1,2-oxazole is sourced from PubChem (CID 22022977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).