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

C18H19N3O6 — CID 120528030

IUPAC1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)on1
InChIInChI=1S/C18H19N3O6/c1-26-15-10-14(27-20-15)16(22)19-13-4-2-11(3-5-13)17(23)21-8-6-12(7-9-21)18(24)25/h2-5,10,12H,6-9H2,1H3,(H,19,22)(H,24,25)
InChIKeyXMNRIHATNQFCTR-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.87
Rot. Bonds5

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

1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (PubChem CID 120528030) has the molecular formula C18H19N3O6 and a molecular weight of 373.37 g/mol. Its IUPAC name is 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
PubChem CID120528030
Molecular FormulaC18H19N3O6
Molecular Weight373.37 g/mol
Exact Mass373.13
IUPAC Name1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
SMILESCOc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)on1
InChIInChI=1S/C18H19N3O6/c1-26-15-10-14(27-20-15)16(22)19-13-4-2-11(3-5-13)17(23)21-8-6-12(7-9-21)18(24)25/h2-5,10,12H,6-9H2,1H3,(H,19,22)(H,24,25)
InChIKeyXMNRIHATNQFCTR-UHFFFAOYSA-N
XLogP1.87
TPSA121.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]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

Related Compounds

3-methyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 43911430
1-[4-[(3,5-dimethylfuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250572
methyl 1-(3-methoxy-1,2-oxazole-5-carbonyl)piperidine-4-carboxylate
CID 90573723
1-[4-[(5-chlorofuran-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119955465
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
3-methoxy-N-(4-methoxyphenyl)-1,2-oxazole-5-carboxamide
CID 90573837
1-[4-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250636
1-[4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250648
1-[4-[(1,3,5-trimethylpyrazole-4-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250541
1-[4-[(1-methyl-5-propan-2-ylpyrazole-3-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250668
1-[4-[(5-chloropyridine-2-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 120528053
1-[4-[(3-chlorobenzoyl)amino]benzoyl]piperidine-4-carboxylic acid
CID 119250693

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid (CID 120528030) is 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is COc1cc(C(=O)Nc2ccc(C(=O)N3CCC(C(=O)O)CC3)cc2)on1.
What is the InChIKey of 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
The InChIKey is XMNRIHATNQFCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O6/c1-26-15-10-14(27-20-15)16(22)19-13-4-2-11(3-5-13)17(23)21-8-6-12(7-9-21)18(24)25/h2-5,10,12H,6-9H2,1H3,(H,19,22)(H,24,25).
What are the key properties of 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid?
1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid has a molecular weight of 373.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]benzoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 120528030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).