3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide

C19H23N3O3 — CID 51122493

IUPAC3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C(=O)N3CCCCC3)on2)cc1
InChIInChI=1S/C19H23N3O3/c1-13-6-8-15(9-7-13)16-12-17(25-21-16)18(23)20-14(2)19(24)22-10-4-3-5-11-22/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,20,23)
InChIKeyXMYYCPDTZAAJAM-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.78
Rot. Bonds4

About 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide

3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 51122493) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID51122493
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NC(C)C(=O)N3CCCCC3)on2)cc1
InChIInChI=1S/C19H23N3O3/c1-13-6-8-15(9-7-13)16-12-17(25-21-16)18(23)20-14(2)19(24)22-10-4-3-5-11-22/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,20,23)
InChIKeyXMYYCPDTZAAJAM-UHFFFAOYSA-N
XLogP2.78
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide 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 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide (CID 51122493) is 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NC(C)C(=O)N3CCCCC3)on2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is XMYYCPDTZAAJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-6-8-15(9-7-13)16-12-17(25-21-16)18(23)20-14(2)19(24)22-10-4-3-5-11-22/h6-9,12,14H,3-5,10-11H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide?
3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 51122493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).