1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone

C14H22N2O2 — CID 115082455

IUPAC1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(CC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-6-4-12(5-7-16)8-14-15-13(9-18-14)11(3)17/h9-10,12H,4-8H2,1-3H3
InChIKeyBJMKBKYFURGCAB-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone

1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone (PubChem CID 115082455) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
PubChem CID115082455
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
SMILESCC(=O)c1coc(CC2CCN(C(C)C)CC2)n1
InChIInChI=1S/C14H22N2O2/c1-10(2)16-6-4-12(5-7-16)8-14-15-13(9-18-14)11(3)17/h9-10,12H,4-8H2,1-3H3
InChIKeyBJMKBKYFURGCAB-UHFFFAOYSA-N
XLogP2.54
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone?
The IUPAC name of 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone (CID 115082455) is 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone?
The canonical SMILES for 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone is CC(=O)c1coc(CC2CCN(C(C)C)CC2)n1.
What is the InChIKey of 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone?
The InChIKey is BJMKBKYFURGCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-10(2)16-6-4-12(5-7-16)8-14-15-13(9-18-14)11(3)17/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone?
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone has a molecular weight of 250.34 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone is sourced from PubChem (CID 115082455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).