2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one

C12H19N3O2 — CID 106417708

IUPAC2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1ccno1)C(=O)N1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-10(13-9-11-5-6-14-17-11)12(16)15-7-3-2-4-8-15/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyMLFNYBMUUMFVHC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds4

About 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one

2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one (PubChem CID 106417708) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
PubChem CID106417708
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one
SMILESCC(NCc1ccno1)C(=O)N1CCCCC1
InChIInChI=1S/C12H19N3O2/c1-10(13-9-11-5-6-14-17-11)12(16)15-7-3-2-4-8-15/h5-6,10,13H,2-4,7-9H2,1H3
InChIKeyMLFNYBMUUMFVHC-UHFFFAOYSA-N
XLogP1.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-ylmethylamino)-1-piperidin-1-ylpropan-1-one
CID 43083284
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115762300
1-(azepan-1-yl)-2-(1,3-thiazol-5-ylmethylamino)propan-1-one
CID 104589380
2-(1,2-oxazol-5-ylmethylamino)-N-propylpropanamide
CID 103605518
2-[(2-ethylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62392311
1-piperidin-1-yl-2-(pyrazin-2-ylmethylamino)propan-1-one
CID 62761838
1-(azepan-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-one
CID 54903759
2-(pyridazin-3-ylmethylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 106832007
1-(azepan-1-yl)-2-[(2-chlorophenyl)methylamino]propan-1-one
CID 43087131
2-[(6-methyl-3-pyridinyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 62997460
2-[(4-methylsulfanylphenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931631
1-pyrrolidin-1-yl-2-[(2,3,4-trihydroxyphenyl)methylamino]propan-1-one
CID 107731003

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one (CID 106417708) is 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one is CC(NCc1ccno1)C(=O)N1CCCCC1.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
The InChIKey is MLFNYBMUUMFVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-10(13-9-11-5-6-14-17-11)12(16)15-7-3-2-4-8-15/h5-6,10,13H,2-4,7-9H2,1H3.
What are the key properties of 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one?
2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one has a molecular weight of 237.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylamino)-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 106417708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).