ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole

C15H20FN3O — CID 155579876

IUPACethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole
SMILESCC.Fc1ccc(-c2ncco2)cc1N1CCNCC1
InChIInChI=1S/C13H14FN3O.C2H6/c14-11-2-1-10(13-16-5-8-18-13)9-12(11)17-6-3-15-4-7-17;1-2/h1-2,5,8-9,15H,3-4,6-7H2;1-2H3
InChIKeyNYBTXTBVVYDCIB-UHFFFAOYSA-N
MW277.34 g/mol
LogP2.92
Rot. Bonds2

About ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole

ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole (PubChem CID 155579876) has the molecular formula C15H20FN3O and a molecular weight of 277.34 g/mol. Its IUPAC name is ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Nameethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole
PubChem CID155579876
Molecular FormulaC15H20FN3O
Molecular Weight277.34 g/mol
Exact Mass277.16
IUPAC Nameethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole
SMILESCC.Fc1ccc(-c2ncco2)cc1N1CCNCC1
InChIInChI=1S/C13H14FN3O.C2H6/c14-11-2-1-10(13-16-5-8-18-13)9-12(11)17-6-3-15-4-7-17;1-2/h1-2,5,8-9,15H,3-4,6-7H2;1-2H3
InChIKeyNYBTXTBVVYDCIB-UHFFFAOYSA-N
XLogP2.92
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole?
The IUPAC name of ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole (CID 155579876) is ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole.
What is the SMILES notation for ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole?
The canonical SMILES for ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole is CC.Fc1ccc(-c2ncco2)cc1N1CCNCC1.
What is the InChIKey of ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole?
The InChIKey is NYBTXTBVVYDCIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O.C2H6/c14-11-2-1-10(13-16-5-8-18-13)9-12(11)17-6-3-15-4-7-17;1-2/h1-2,5,8-9,15H,3-4,6-7H2;1-2H3.
What are the key properties of ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole?
ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole has a molecular weight of 277.34 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(4-fluoro-3-piperazin-1-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 155579876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).