[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

C15H21N5O2 — CID 90561451

IUPAC[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCCc1nccn1CCN1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C15H21N5O2/c1-2-14-16-5-6-19(14)10-7-18-8-11-20(12-9-18)15(21)13-3-4-17-22-13/h3-6H,2,7-12H2,1H3
InChIKeyNYQMBKROXLJYNT-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.89
Rot. Bonds5

About [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone

[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (PubChem CID 90561451) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
PubChem CID90561451
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
SMILESCCc1nccn1CCN1CCN(C(=O)c2ccno2)CC1
InChIInChI=1S/C15H21N5O2/c1-2-14-16-5-6-19(14)10-7-18-8-11-20(12-9-18)15(21)13-3-4-17-22-13/h3-6H,2,7-12H2,1H3
InChIKeyNYQMBKROXLJYNT-UHFFFAOYSA-N
XLogP0.89
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The IUPAC name of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone (CID 90561451) is [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone.
What is the SMILES notation for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The canonical SMILES for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is CCc1nccn1CCN1CCN(C(=O)c2ccno2)CC1.
What is the InChIKey of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
The InChIKey is NYQMBKROXLJYNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-2-14-16-5-6-19(14)10-7-18-8-11-20(12-9-18)15(21)13-3-4-17-22-13/h3-6H,2,7-12H2,1H3.
What are the key properties of [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone?
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 0.89, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone is sourced from PubChem (CID 90561451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).