1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

C13H21N3O2 — CID 53014096

IUPAC1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(c2cc(N)on2)CC1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)12(17)16-6-4-9(5-7-16)10-8-11(14)18-15-10/h8-9H,4-7,14H2,1-3H3
InChIKeyXBEYKXWZSMZRLK-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.01
Rot. Bonds1

About 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one

1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (PubChem CID 53014096) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
PubChem CID53014096
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCC(c2cc(N)on2)CC1
InChIInChI=1S/C13H21N3O2/c1-13(2,3)12(17)16-6-4-9(5-7-16)10-8-11(14)18-15-10/h8-9H,4-7,14H2,1-3H3
InChIKeyXBEYKXWZSMZRLK-UHFFFAOYSA-N
XLogP2.01
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one (CID 53014096) is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCC(c2cc(N)on2)CC1.
What is the InChIKey of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
The InChIKey is XBEYKXWZSMZRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-13(2,3)12(17)16-6-4-9(5-7-16)10-8-11(14)18-15-10/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one?
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one has a molecular weight of 251.33 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 53014096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).