2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride

C16H22Cl2FN3O2 — CID 3049295

IUPAC2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C16H20FN3O2.2ClH/c17-14-3-1-13(2-4-14)15-11-18-16(22-15)12-20-7-5-19(6-8-20)9-10-21;;/h1-4,11,21H,5-10,12H2;2*1H
InChIKeyUATUAFMMZZPBGU-UHFFFAOYSA-N
MW378.28 g/mol
LogP2.43
Rot. Bonds5

About 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride

2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride (PubChem CID 3049295) has the molecular formula C16H22Cl2FN3O2 and a molecular weight of 378.28 g/mol. Its IUPAC name is 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride
PubChem CID3049295
Molecular FormulaC16H22Cl2FN3O2
Molecular Weight378.28 g/mol
Exact Mass377.11
IUPAC Name2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1
InChIInChI=1S/C16H20FN3O2.2ClH/c17-14-3-1-13(2-4-14)15-11-18-16(22-15)12-20-7-5-19(6-8-20)9-10-21;;/h1-4,11,21H,5-10,12H2;2*1H
InChIKeyUATUAFMMZZPBGU-UHFFFAOYSA-N
XLogP2.43
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride (CID 3049295) is 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride is Cl.Cl.OCCN1CCN(Cc2ncc(-c3ccc(F)cc3)o2)CC1.
What is the InChIKey of 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride?
The InChIKey is UATUAFMMZZPBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2.2ClH/c17-14-3-1-13(2-4-14)15-11-18-16(22-15)12-20-7-5-19(6-8-20)9-10-21;;/h1-4,11,21H,5-10,12H2;2*1H.
What are the key properties of 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride?
2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride has a molecular weight of 378.28 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]methyl]piperazin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 3049295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).