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

C10H12N2O4 — CID 117218628

IUPAC5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1C(=O)N1CCCCC1
InChIInChI=1S/C10H12N2O4/c13-9(12-4-2-1-3-5-12)8-7(10(14)15)6-11-16-8/h6H,1-5H2,(H,14,15)
InChIKeyBKWFPSDAMCOBRU-UHFFFAOYSA-N
MW224.22 g/mol
LogP1.00
Rot. Bonds2

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

5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 117218628) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid
PubChem CID117218628
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1cnoc1C(=O)N1CCCCC1
InChIInChI=1S/C10H12N2O4/c13-9(12-4-2-1-3-5-12)8-7(10(14)15)6-11-16-8/h6H,1-5H2,(H,14,15)
InChIKeyBKWFPSDAMCOBRU-UHFFFAOYSA-N
XLogP1.00
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid (CID 117218628) is 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid is O=C(O)c1cnoc1C(=O)N1CCCCC1.
What is the InChIKey of 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is BKWFPSDAMCOBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-9(12-4-2-1-3-5-12)8-7(10(14)15)6-11-16-8/h6H,1-5H2,(H,14,15).
What are the key properties of 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid?
5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidine-1-carbonyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 117218628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).