1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one

C14H22N2O2 — CID 115085402

IUPAC1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one
SMILESCCN1CCC(Cc2ncc(CC(C)=O)o2)CC1
InChIInChI=1S/C14H22N2O2/c1-3-16-6-4-12(5-7-16)9-14-15-10-13(18-14)8-11(2)17/h10,12H,3-9H2,1-2H3
InChIKeyATESARPSTOSZNC-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.08
Rot. Bonds5

About 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one

1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one (PubChem CID 115085402) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one
PubChem CID115085402
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one
SMILESCCN1CCC(Cc2ncc(CC(C)=O)o2)CC1
InChIInChI=1S/C14H22N2O2/c1-3-16-6-4-12(5-7-16)9-14-15-10-13(18-14)8-11(2)17/h10,12H,3-9H2,1-2H3
InChIKeyATESARPSTOSZNC-UHFFFAOYSA-N
XLogP2.08
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one?
The IUPAC name of 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one (CID 115085402) is 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one.
What is the SMILES notation for 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one?
The canonical SMILES for 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one is CCN1CCC(Cc2ncc(CC(C)=O)o2)CC1.
What is the InChIKey of 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one?
The InChIKey is ATESARPSTOSZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-16-6-4-12(5-7-16)9-14-15-10-13(18-14)8-11(2)17/h10,12H,3-9H2,1-2H3.
What are the key properties of 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one?
1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one has a molecular weight of 250.34 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]propan-2-one is sourced from PubChem (CID 115085402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).