1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone

C13H20N2O2 — CID 115086140

IUPAC1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone
SMILESCCN1CCCCC1Cc1ncc(C(C)=O)o1
InChIInChI=1S/C13H20N2O2/c1-3-15-7-5-4-6-11(15)8-13-14-9-12(17-13)10(2)16/h9,11H,3-8H2,1-2H3
InChIKeyPLNWJQHGQPXNJU-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.29
Rot. Bonds4

About 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone

1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone (PubChem CID 115086140) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone
PubChem CID115086140
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone
SMILESCCN1CCCCC1Cc1ncc(C(C)=O)o1
InChIInChI=1S/C13H20N2O2/c1-3-15-7-5-4-6-11(15)8-13-14-9-12(17-13)10(2)16/h9,11H,3-8H2,1-2H3
InChIKeyPLNWJQHGQPXNJU-UHFFFAOYSA-N
XLogP2.29
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086180
[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-oxazol-5-yl]methanol
CID 115085964
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]-N-methylpropan-1-amine
CID 115086252
2-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 115091040
1-[2-[(1-ethylpyrrolidin-2-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 115090768
5-[(1-ethylpiperidin-2-yl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115078444
1-[5-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanone
CID 115078131
1-[3-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanone
CID 115080119
1-[5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]furan-2-yl]ethanone
CID 104651800
3-[2-[(1-methylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]propanoic acid
CID 115086271
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-4-yl]propan-2-one
CID 115088795
3-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091025

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone (CID 115086140) is 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone is CCN1CCCCC1Cc1ncc(C(C)=O)o1.
What is the InChIKey of 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone?
The InChIKey is PLNWJQHGQPXNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-3-15-7-5-4-6-11(15)8-13-14-9-12(17-13)10(2)16/h9,11H,3-8H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone?
1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone has a molecular weight of 236.31 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpiperidin-2-yl)methyl]-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 115086140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).