[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol

C16H20FN3O2 — CID 136563170

IUPAC[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1CO
InChIInChI=1S/C16H20FN3O2/c1-19-6-7-20(9-14(19)11-21)10-15-8-16(18-22-15)12-2-4-13(17)5-3-12/h2-5,8,14,21H,6-7,9-11H2,1H3
InChIKeyGAFWBWDWMSJTKD-UHFFFAOYSA-N
MW305.35 g/mol
LogP1.59
Rot. Bonds4

About [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol

[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol (PubChem CID 136563170) has the molecular formula C16H20FN3O2 and a molecular weight of 305.35 g/mol. Its IUPAC name is [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol.

Molecular Properties

Compound Name[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
PubChem CID136563170
Molecular FormulaC16H20FN3O2
Molecular Weight305.35 g/mol
Exact Mass305.15
IUPAC Name[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol
SMILESCN1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1CO
InChIInChI=1S/C16H20FN3O2/c1-19-6-7-20(9-14(19)11-21)10-15-8-16(18-22-15)12-2-4-13(17)5-3-12/h2-5,8,14,21H,6-7,9-11H2,1H3
InChIKeyGAFWBWDWMSJTKD-UHFFFAOYSA-N
XLogP1.59
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The IUPAC name of [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol (CID 136563170) is [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol.
What is the SMILES notation for [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The canonical SMILES for [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol is CN1CCN(Cc2cc(-c3ccc(F)cc3)no2)CC1CO.
What is the InChIKey of [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol?
The InChIKey is GAFWBWDWMSJTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2/c1-19-6-7-20(9-14(19)11-21)10-15-8-16(18-22-15)12-2-4-13(17)5-3-12/h2-5,8,14,21H,6-7,9-11H2,1H3.
What are the key properties of [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol?
[4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol has a molecular weight of 305.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]-1-methylpiperazin-2-yl]methanol is sourced from PubChem (CID 136563170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).