1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

C19H21N3O5 — CID 119235918

IUPAC1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O5/c1-21(11-16(23)22-9-7-14(8-10-22)19(25)26)18(24)15-12-27-17(20-15)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,25,26)
InChIKeyJHEXTCFOKUODLM-UHFFFAOYSA-N
MW371.39 g/mol
LogP1.74
Rot. Bonds5

About 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid

1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (PubChem CID 119235918) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
PubChem CID119235918
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid
SMILESCN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C19H21N3O5/c1-21(11-16(23)22-9-7-14(8-10-22)19(25)26)18(24)15-12-27-17(20-15)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,25,26)
InChIKeyJHEXTCFOKUODLM-UHFFFAOYSA-N
XLogP1.74
TPSA103.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid (CID 119235918) is 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is CN(CC(=O)N1CCC(C(=O)O)CC1)C(=O)c1coc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
The InChIKey is JHEXTCFOKUODLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-21(11-16(23)22-9-7-14(8-10-22)19(25)26)18(24)15-12-27-17(20-15)13-5-3-2-4-6-13/h2-6,12,14H,7-11H2,1H3,(H,25,26).
What are the key properties of 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid?
1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-(2-phenyl-1,3-oxazole-4-carbonyl)amino]acetyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119235918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).