2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole

C15H21N3O — CID 117402586

IUPAC2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(CCN2CCNCC2)cc(C2=NCCO2)c1
InChIInChI=1S/C15H21N3O/c1-2-13(4-8-18-9-5-16-6-10-18)12-14(3-1)15-17-7-11-19-15/h1-3,12,16H,4-11H2
InChIKeyVFCLJCIJBSYMJK-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.91
Rot. Bonds4

About 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole

2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 117402586) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID117402586
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1cc(CCN2CCNCC2)cc(C2=NCCO2)c1
InChIInChI=1S/C15H21N3O/c1-2-13(4-8-18-9-5-16-6-10-18)12-14(3-1)15-17-7-11-19-15/h1-3,12,16H,4-11H2
InChIKeyVFCLJCIJBSYMJK-UHFFFAOYSA-N
XLogP0.91
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117363161
2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117402585
1-[2-[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]ethyl]cyclopropan-1-amine
CID 105488447
1-[2-(3-bromophenyl)ethyl]piperazine
CID 53407154
3-(2-piperazin-1-ylethyl)aniline
CID 82071066
N,N-dimethyl-1-[3-(2-piperazin-1-ylethyl)phenyl]methanamine
CID 117372136
1-[2-(3-methylphenyl)ethyl]piperazine;dihydrochloride
CID 137346950
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-[3-(2,2-difluoroethyl)phenyl]ethyl]piperazine
CID 117389280
2-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 67984069
1-[2-[3-(2,3-dihydrotetrazol-1-yl)phenyl]ethyl]piperazine
CID 118047878
1-[2-(3-cycloheptylphenyl)ethyl]piperazine
CID 117462171

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 117402586) is 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole is c1cc(CCN2CCNCC2)cc(C2=NCCO2)c1.
What is the InChIKey of 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VFCLJCIJBSYMJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-13(4-8-18-9-5-16-6-10-18)12-14(3-1)15-17-7-11-19-15/h1-3,12,16H,4-11H2.
What are the key properties of 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 259.35 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 117402586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).