1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid

C19H21N3O5 — CID 119250636

IUPAC1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)o1
InChIInChI=1S/C19H21N3O5/c1-11-16(27-12(2)20-11)17(23)21-15-5-3-13(4-6-15)18(24)22-9-7-14(8-10-22)19(25)26/h3-6,14H,7-10H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyXTNQKWBJPUZYKH-UHFFFAOYSA-N
MW371.39 g/mol
LogP2.48
Rot. Bonds4

About 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid

1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 119250636) has the molecular formula C19H21N3O5 and a molecular weight of 371.39 g/mol. Its IUPAC name is 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID119250636
Molecular FormulaC19H21N3O5
Molecular Weight371.39 g/mol
Exact Mass371.15
IUPAC Name1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCc1nc(C)c(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)o1
InChIInChI=1S/C19H21N3O5/c1-11-16(27-12(2)20-11)17(23)21-15-5-3-13(4-6-15)18(24)22-9-7-14(8-10-22)19(25)26/h3-6,14H,7-10H2,1-2H3,(H,21,23)(H,25,26)
InChIKeyXTNQKWBJPUZYKH-UHFFFAOYSA-N
XLogP2.48
TPSA112.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid with MolForge

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Related Compounds

1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
1-[4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250541
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250648
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
2,4-dimethyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]-1,3-oxazole-5-carboxamide
CID 118789869
1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528030
1-[4-[(2-ethylbenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528033
1-[4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250668
1-[4-[(5-chlorothiophene-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250444
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 119250636) is 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is Cc1nc(C)c(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)o1.
What is the InChIKey of 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is XTNQKWBJPUZYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O5/c1-11-16(27-12(2)20-11)17(23)21-15-5-3-13(4-6-15)18(24)22-9-7-14(8-10-22)19(25)26/h3-6,14H,7-10H2,1-2H3,(H,21,23)(H,25,26).
What are the key properties of 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119250636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).