5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid

C18H20N2O4 — CID 122118114

IUPAC5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C18H20N2O4/c1-11-8-14(18(22)23)10-20(9-11)17(21)15-12(2)19-16(24-15)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,22,23)
InChIKeyRVJQPIUFQYYXQS-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.83
Rot. Bonds3

About 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid

5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 122118114) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID122118114
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C18H20N2O4/c1-11-8-14(18(22)23)10-20(9-11)17(21)15-12(2)19-16(24-15)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,22,23)
InChIKeyRVJQPIUFQYYXQS-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-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

1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindol-2-yl-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 128595879
6-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514826
1-[[3-(4,5-dimethyl-1,3-oxazol-2-yl)phenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102191
(2R)-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 120537508
(4-methyl-2-phenyl-1,3-oxazol-5-yl)-[(3R)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 124607744
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone
CID 119399002
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
(3,5-dimethylpiperidin-1-yl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methanone
CID 5322328
1-[2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119791
(3S,3aS,6aR)-2-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 129469420
5-methyl-1-(3-methylpyridine-2-carbonyl)piperidine-3-carboxylic acid
CID 122117858
1-(4-bromo-3-phenyl-1H-pyrazole-5-carbonyl)-5-methylpiperidine-3-carboxylic acid
CID 122118485

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid (CID 122118114) is 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid is Cc1nc(-c2ccccc2)oc1C(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is RVJQPIUFQYYXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-11-8-14(18(22)23)10-20(9-11)17(21)15-12(2)19-16(24-15)13-6-4-3-5-7-13/h3-7,11,14H,8-10H2,1-2H3,(H,22,23).
What are the key properties of 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methyl-2-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122118114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).