4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole

C16H20FN3O — CID 65462999

IUPAC4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
SMILESCC1(C)CNCCN1Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H20FN3O/c1-16(2)11-18-6-7-20(16)9-14-10-21-15(19-14)12-4-3-5-13(17)8-12/h3-5,8,10,18H,6-7,9,11H2,1-2H3
InChIKeyXXXVGMZJVLYWGE-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.66
Rot. Bonds3

About 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole

4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole (PubChem CID 65462999) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
PubChem CID65462999
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole
SMILESCC1(C)CNCCN1Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C16H20FN3O/c1-16(2)11-18-6-7-20(16)9-14-10-21-15(19-14)12-4-3-5-13(17)8-12/h3-5,8,10,18H,6-7,9,11H2,1-2H3
InChIKeyXXXVGMZJVLYWGE-UHFFFAOYSA-N
XLogP2.66
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The IUPAC name of 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole (CID 65462999) is 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole.
What is the SMILES notation for 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The canonical SMILES for 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole is CC1(C)CNCCN1Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
The InChIKey is XXXVGMZJVLYWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-16(2)11-18-6-7-20(16)9-14-10-21-15(19-14)12-4-3-5-13(17)8-12/h3-5,8,10,18H,6-7,9,11H2,1-2H3.
What are the key properties of 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole?
4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole has a molecular weight of 289.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,2-dimethylpiperazin-1-yl)methyl]-2-(3-fluorophenyl)-1,3-oxazole is sourced from PubChem (CID 65462999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).