5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid

C18H20N2O4 — CID 138050332

IUPAC5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CCC(c3ocnc3C(=O)O)CC2)c1
InChIInChI=1S/C18H20N2O4/c1-11-3-4-12(2)14(9-11)17(21)20-7-5-13(6-8-20)16-15(18(22)23)19-10-24-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,23)
InChIKeyWQGPCVNCMKQFPG-UHFFFAOYSA-N
MW328.37 g/mol
LogP3.01
Rot. Bonds3

About 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid

5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 138050332) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID138050332
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
SMILESCc1ccc(C)c(C(=O)N2CCC(c3ocnc3C(=O)O)CC2)c1
InChIInChI=1S/C18H20N2O4/c1-11-3-4-12(2)14(9-11)17(21)20-7-5-13(6-8-20)16-15(18(22)23)19-10-24-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,23)
InChIKeyWQGPCVNCMKQFPG-UHFFFAOYSA-N
XLogP3.01
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid 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

(2,5-dimethylphenyl)-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 136536266
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66291160
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824
(2,5-dimethylphenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916408
[4-(2,5-dimethylbenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911085
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502
[4-(3,4-dimethylphenoxy)piperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 55803881
[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-(2,5-dimethylphenyl)methanone
CID 45235539

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid (CID 138050332) is 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid is Cc1ccc(C)c(C(=O)N2CCC(c3ocnc3C(=O)O)CC2)c1.
What is the InChIKey of 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is WQGPCVNCMKQFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-3-4-12(2)14(9-11)17(21)20-7-5-13(6-8-20)16-15(18(22)23)19-10-24-16/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,23).
What are the key properties of 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid?
5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethylbenzoyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 138050332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).