3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide

C19H25N3O4S — CID 46480197

IUPAC3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)cc3)no2)CC1
InChIInChI=1S/C19H25N3O4S/c1-3-12-27(24,25)22-10-8-16(9-11-22)20-19(23)18-13-17(21-26-18)15-6-4-14(2)5-7-15/h4-7,13,16H,3,8-12H2,1-2H3,(H,20,23)
InChIKeyUOKSBBRFQDSIEN-UHFFFAOYSA-N
MW391.49 g/mol
LogP2.58
Rot. Bonds6

About 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide

3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide (PubChem CID 46480197) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
PubChem CID46480197
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)cc3)no2)CC1
InChIInChI=1S/C19H25N3O4S/c1-3-12-27(24,25)22-10-8-16(9-11-22)20-19(23)18-13-17(21-26-18)15-6-4-14(2)5-7-15/h4-7,13,16H,3,8-12H2,1-2H3,(H,20,23)
InChIKeyUOKSBBRFQDSIEN-UHFFFAOYSA-N
XLogP2.58
TPSA92.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-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

Related Compounds

N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023
N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 51079604
3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 55706061
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487
2-(4-chlorophenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 46455913
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 46456125
6-oxo-N-(1-propylsulfonylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 46456038
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
1-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46456147
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 108562226
1-(2,5-dimethylphenyl)-3-(1-propylsulfonylpiperidin-4-yl)thiourea
CID 43077031
N-[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 100845880

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide (CID 46480197) is 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)cc3)no2)CC1.
What is the InChIKey of 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is UOKSBBRFQDSIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-3-12-27(24,25)22-10-8-16(9-11-22)20-19(23)18-13-17(21-26-18)15-6-4-14(2)5-7-15/h4-7,13,16H,3,8-12H2,1-2H3,(H,20,23).
What are the key properties of 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide?
3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 391.49 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-N-(1-propylsulfonylpiperidin-4-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 46480197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).