3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid

C10H14N2O3 — CID 105463920

IUPAC3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid
SMILESCc1noc(C(=O)O)c1C1CCCNC1
InChIInChI=1S/C10H14N2O3/c1-6-8(7-3-2-4-11-5-7)9(10(13)14)15-12-6/h7,11H,2-5H2,1H3,(H,13,14)
InChIKeyXXOOBZLUNFZPBG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.15
Rot. Bonds2

About 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid

3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid (PubChem CID 105463920) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid
PubChem CID105463920
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid
SMILESCc1noc(C(=O)O)c1C1CCCNC1
InChIInChI=1S/C10H14N2O3/c1-6-8(7-3-2-4-11-5-7)9(10(13)14)15-12-6/h7,11H,2-5H2,1H3,(H,13,14)
InChIKeyXXOOBZLUNFZPBG-UHFFFAOYSA-N
XLogP1.15
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-pyrrolidin-3-yl-1,2-oxazole-4-carboxylic acid
CID 105449750
5-piperidin-3-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 112631757
3-methoxy-5-methyl-4-piperidin-3-yl-1,2-oxazole
CID 130117599
4-cyclopentyl-5-methyl-1,2-oxazole-3-carboxylic acid
CID 83637343
4,6-dimethyl-5-piperidin-3-yl-1H-pyrimidine-2-thione
CID 105481259
3-bromo-5-methyl-4-piperidin-3-ylpyridine
CID 84708530
4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
1-[(3S)-3-[5-[(3S)-piperidin-3-yl]-1,3,4-oxadiazol-2-yl]piperidin-1-yl]propan-1-one
CID 124956744
2-methyl-6-piperidin-3-ylquinoline-4-carboxylic acid
CID 165354987
3-(2,6-dimethylphenyl)piperidine;ethane
CID 143178371
(4-methyl-2-piperidin-3-ylpyrimidin-5-yl)-(1,2-oxazolidin-2-yl)methanone
CID 155982967
2-piperidin-3-yl-1,3-thiazole-5-carboxylic acid
CID 105466008

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid (CID 105463920) is 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid is Cc1noc(C(=O)O)c1C1CCCNC1.
What is the InChIKey of 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid?
The InChIKey is XXOOBZLUNFZPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6-8(7-3-2-4-11-5-7)9(10(13)14)15-12-6/h7,11H,2-5H2,1H3,(H,13,14).
What are the key properties of 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid?
3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-piperidin-3-yl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 105463920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).