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

C16H23Cl2N3O2 — CID 3049293

IUPAC2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H21N3O2.2ClH/c20-11-10-18-6-8-19(9-7-18)13-16-17-12-15(21-16)14-4-2-1-3-5-14;;/h1-5,12,20H,6-11,13H2;2*1H
InChIKeyFNGPAKSLULAQMV-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.30
Rot. Bonds5

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

2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride (PubChem CID 3049293) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride.

Molecular Properties

Compound Name2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride
PubChem CID3049293
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride
SMILESCl.Cl.OCCN1CCN(Cc2ncc(-c3ccccc3)o2)CC1
InChIInChI=1S/C16H21N3O2.2ClH/c20-11-10-18-6-8-19(9-7-18)13-16-17-12-15(21-16)14-4-2-1-3-5-14;;/h1-5,12,20H,6-11,13H2;2*1H
InChIKeyFNGPAKSLULAQMV-UHFFFAOYSA-N
XLogP2.30
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride?
The IUPAC name of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride (CID 3049293) is 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride.
What is the SMILES notation for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride?
The canonical SMILES for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride is Cl.Cl.OCCN1CCN(Cc2ncc(-c3ccccc3)o2)CC1.
What is the InChIKey of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride?
The InChIKey is FNGPAKSLULAQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.2ClH/c20-11-10-18-6-8-19(9-7-18)13-16-17-12-15(21-16)14-4-2-1-3-5-14;;/h1-5,12,20H,6-11,13H2;2*1H.
What are the key properties of 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride?
2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-phenyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]ethanol;dihydrochloride is sourced from PubChem (CID 3049293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).