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

C10H12N2O4 — CID 110835478

IUPAC1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cnco1
InChIInChI=1S/C10H12N2O4/c13-9(8-5-11-6-16-8)12-4-2-1-3-7(12)10(14)15/h5-7H,1-4H2,(H,14,15)
InChIKeyOZPRQPVDZRPEPW-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.75
Rot. Bonds2

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

1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 110835478) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID110835478
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1C(=O)c1cnco1
InChIInChI=1S/C10H12N2O4/c13-9(8-5-11-6-16-8)12-4-2-1-3-7(12)10(14)15/h5-7H,1-4H2,(H,14,15)
InChIKeyOZPRQPVDZRPEPW-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-oxazole-2-carbonyl)piperidine-2-carboxylic acid
CID 110835122
1-[(5aS,9aR)-1-(1,3-oxazole-5-carbonyl)-3,4,5,5a,6,8,9,9a-octahydro-2H-pyrido[4,3-b]azepin-7-yl]ethanone
CID 110124498
(2R)-1-(2-chlorofuran-3-carbonyl)piperidine-2-carboxylic acid
CID 106683530
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273
1-(thiadiazole-5-carbonyl)piperidine-2-carboxylic acid
CID 43522625
1-(1,2-oxazole-5-carbonyl)pyrrolidine-2-carboxylic acid
CID 43209795
(2S)-1-(5-methylpyridine-3-carbonyl)piperidine-2-carboxylic acid
CID 66263120
1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-2-carboxylic acid
CID 119176237
1-(1H-pyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 43565596
1-(3-bromopyridine-4-carbonyl)piperidine-2-carboxylic acid
CID 120514918

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid (CID 110835478) is 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1C(=O)c1cnco1.
What is the InChIKey of 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is OZPRQPVDZRPEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-9(8-5-11-6-16-8)12-4-2-1-3-7(12)10(14)15/h5-7H,1-4H2,(H,14,15).
What are the key properties of 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid?
1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 224.22 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazole-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 110835478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).