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

C17H21N3O2 — CID 53146515

IUPAC1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCC(c2cc(N)on2)CC1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12(13-5-3-2-4-6-13)17(21)20-9-7-14(8-10-20)15-11-16(18)22-19-15/h2-6,11-12,14H,7-10,18H2,1H3
InChIKeyUMQNAFNPQFQKNT-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.77
Rot. Bonds3

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

1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one (PubChem CID 53146515) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
PubChem CID53146515
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCC(c2cc(N)on2)CC1)c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12(13-5-3-2-4-6-13)17(21)20-9-7-14(8-10-20)15-11-16(18)22-19-15/h2-6,11-12,14H,7-10,18H2,1H3
InChIKeyUMQNAFNPQFQKNT-UHFFFAOYSA-N
XLogP2.77
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.77
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-phenylpropan-1-one?
The IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one (CID 53146515) is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one?
The canonical SMILES for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one is CC(C(=O)N1CCC(c2cc(N)on2)CC1)c1ccccc1.
What is the InChIKey of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one?
The InChIKey is UMQNAFNPQFQKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12(13-5-3-2-4-6-13)17(21)20-9-7-14(8-10-20)15-11-16(18)22-19-15/h2-6,11-12,14H,7-10,18H2,1H3.
What are the key properties of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one?
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-phenylpropan-1-one has a molecular weight of 299.37 g/mol, XLogP of 2.77, 3 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-phenylpropan-1-one is sourced from PubChem (CID 53146515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).