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

C15H21N3O — CID 117402585

IUPAC2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NCCO2)c(CCN2CCNCC2)c1
InChIInChI=1S/C15H21N3O/c1-2-4-14(15-17-8-12-19-15)13(3-1)5-9-18-10-6-16-7-11-18/h1-4,16H,5-12H2
InChIKeyVCTCRDKHRZLHFF-UHFFFAOYSA-N
MW259.35 g/mol
LogP0.91
Rot. Bonds4

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

2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 117402585) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID117402585
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESc1ccc(C2=NCCO2)c(CCN2CCNCC2)c1
InChIInChI=1S/C15H21N3O/c1-2-4-14(15-17-8-12-19-15)13(3-1)5-9-18-10-6-16-7-11-18/h1-4,16H,5-12H2
InChIKeyVCTCRDKHRZLHFF-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-[2-(piperidin-4-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117363160
2-[3-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 117402586
2-[2-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]acetonitrile
CID 84770011
1-[2-(2-propan-2-ylphenyl)ethyl]piperazine
CID 96808954
1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]ethyl]piperazine
CID 117436770
N,N-diethyl-2-(2-piperazin-1-ylethyl)aniline
CID 117408812
1-[2-(2-methoxyphenyl)ethyl]piperazine;dihydrochloride
CID 52983547
1-[2-(2-piperidin-1-ylphenyl)ethyl]piperazine
CID 117436771
1-[2-[2-(2-fluoropropan-2-yl)phenyl]ethyl]piperazine
CID 117379867
bis(1-(2-phenylethyl)piperazine);dihydrochloride
CID 102602644
1-[2-(2-piperazin-1-ylethyl)phenyl]ethane-1,2-diol
CID 117379674
1-[2-[2-(difluoromethyl)-3-pyridinyl]ethyl]piperazine
CID 84702608

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole (CID 117402585) is 2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole is c1ccc(C2=NCCO2)c(CCN2CCNCC2)c1.
What is the InChIKey of 2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is VCTCRDKHRZLHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-4-14(15-17-8-12-19-15)13(3-1)5-9-18-10-6-16-7-11-18/h1-4,16H,5-12H2.
What are the key properties of 2-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole?
2-[2-(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-[2-(2-piperazin-1-ylethyl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 117402585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).