1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone

C17H21N3O2 — CID 53146516

IUPAC1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(c3cc(N)on3)CC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-3-2-4-13(9-12)10-17(21)20-7-5-14(6-8-20)15-11-16(18)22-19-15/h2-4,9,11,14H,5-8,10,18H2,1H3
InChIKeyMHNKFVSIYTXIEI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.51
Rot. Bonds3

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

1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 53146516) 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-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID53146516
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCC(c3cc(N)on3)CC2)c1
InChIInChI=1S/C17H21N3O2/c1-12-3-2-4-13(9-12)10-17(21)20-7-5-14(6-8-20)15-11-16(18)22-19-15/h2-4,9,11,14H,5-8,10,18H2,1H3
InChIKeyMHNKFVSIYTXIEI-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone (CID 53146516) is 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCC(c3cc(N)on3)CC2)c1.
What is the InChIKey of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is MHNKFVSIYTXIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-3-2-4-13(9-12)10-17(21)20-7-5-14(6-8-20)15-11-16(18)22-19-15/h2-4,9,11,14H,5-8,10,18H2,1H3.
What are the key properties of 1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-(5-amino-1,2-oxazol-3-yl)piperidin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.51, 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-(3-methylphenyl)ethanone is sourced from PubChem (CID 53146516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).