1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone

C11H16N2O2 — CID 115093984

IUPAC1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1cc(CC2CCNCC2)on1
InChIInChI=1S/C11H16N2O2/c1-8(14)11-7-10(15-13-11)6-9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3
InChIKeyRRUPWLPJYKPEOH-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.42
Rot. Bonds3

About 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone

1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone (PubChem CID 115093984) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone
PubChem CID115093984
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone
SMILESCC(=O)c1cc(CC2CCNCC2)on1
InChIInChI=1S/C11H16N2O2/c1-8(14)11-7-10(15-13-11)6-9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3
InChIKeyRRUPWLPJYKPEOH-UHFFFAOYSA-N
XLogP1.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(piperidin-2-ylmethyl)-1,2-oxazol-3-yl]ethanone
CID 115094175
1-[5-[(1,1-dioxothian-4-yl)methyl]-1,2-oxazol-3-yl]ethanone
CID 115093977
3-cyclopropyl-5-(piperidin-4-ylmethyl)-1,2-oxazole
CID 83848363
N-(2-amino-5-fluorophenyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 166270185
methyl 2-(3-piperidin-4-yl-1,2-oxazol-5-yl)acetate
CID 163373999
1-[5-[[(2S)-oxan-2-yl]oxymethyl]-1,2-oxazol-3-yl]ethanone
CID 86339553
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-(piperidin-4-ylmethyl)-1,2-oxazole-3-carboxamide
CID 166270307
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
[5-(piperidin-4-ylmethyl)furan-2-yl]methanol
CID 174903232
1-(5-cyclohexyl-1,2-oxazol-3-yl)ethanone
CID 115094361
6-[[(4R)-azepan-4-yl]methyl]-N-methylpyrimidine-4-carboxamide
CID 124641367
1-[5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanone
CID 115077275

Frequently Asked Questions

What is the IUPAC name of 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone?
The IUPAC name of 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone (CID 115093984) is 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone.
What is the SMILES notation for 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone?
The canonical SMILES for 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone is CC(=O)c1cc(CC2CCNCC2)on1.
What is the InChIKey of 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone?
The InChIKey is RRUPWLPJYKPEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8(14)11-7-10(15-13-11)6-9-2-4-12-5-3-9/h7,9,12H,2-6H2,1H3.
What are the key properties of 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone?
1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone has a molecular weight of 208.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(piperidin-4-ylmethyl)-1,2-oxazol-3-yl]ethanone is sourced from PubChem (CID 115093984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).