1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone

C16H20N4O2 — CID 142367873

IUPAC1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CCc3ccon3)CC2)nc1
InChIInChI=1S/C16H20N4O2/c1-13(21)14-2-3-16(17-12-14)20-9-7-19(8-10-20)6-4-15-5-11-22-18-15/h2-3,5,11-12H,4,6-10H2,1H3
InChIKeyWVOYQDCSOJCNEI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.64
Rot. Bonds5

About 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone

1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone (PubChem CID 142367873) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone
PubChem CID142367873
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCN(CCc3ccon3)CC2)nc1
InChIInChI=1S/C16H20N4O2/c1-13(21)14-2-3-16(17-12-14)20-9-7-19(8-10-20)6-4-15-5-11-22-18-15/h2-3,5,11-12H,4,6-10H2,1H3
InChIKeyWVOYQDCSOJCNEI-UHFFFAOYSA-N
XLogP1.64
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone with MolForge

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Related Compounds

ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
1-(5-acetyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 66656112
1-[6-(3,6-dihydro-2H-pyridin-1-yl)-3-pyridinyl]ethanone
CID 115969554
6-(4-propylpiperazin-1-yl)pyridine-3-carbothioamide
CID 24709307
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
1-[6-[4-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]piperidin-1-yl]-3-pyridinyl]ethanone
CID 124615419
1-[4-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]phenyl]ethanone
CID 91843582
N-propan-2-yl-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
CID 168923141
2-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethyl acetate
CID 91886723
2-[4-[2-[1-(5-acetyl-2-pyridinyl)pyrrolidin-3-yl]ethyl]piperazin-1-yl]acetyl fluoride;ethane
CID 170739246
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154758

Frequently Asked Questions

What is the IUPAC name of 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone (CID 142367873) is 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CCN(CCc3ccon3)CC2)nc1.
What is the InChIKey of 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone?
The InChIKey is WVOYQDCSOJCNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-13(21)14-2-3-16(17-12-14)20-9-7-19(8-10-20)6-4-15-5-11-22-18-15/h2-3,5,11-12H,4,6-10H2,1H3.
What are the key properties of 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone?
1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone has a molecular weight of 300.36 g/mol, XLogP of 1.64, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[4-[2-(1,2-oxazol-3-yl)ethyl]piperazin-1-yl]-3-pyridinyl]ethanone is sourced from PubChem (CID 142367873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).