2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid

C15H15N3O4 — CID 134713696

IUPAC2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCCC(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C15H15N3O4/c19-13(11-5-1-2-6-16-11)10-4-3-7-18(8-10)15-17-12(9-22-15)14(20)21/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21)
InChIKeyVVMUYVMYDFWMNY-UHFFFAOYSA-N
MW301.30 g/mol
LogP1.87
Rot. Bonds4

About 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid

2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 134713696) has the molecular formula C15H15N3O4 and a molecular weight of 301.30 g/mol. Its IUPAC name is 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID134713696
Molecular FormulaC15H15N3O4
Molecular Weight301.30 g/mol
Exact Mass301.11
IUPAC Name2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(N2CCCC(C(=O)c3ccccn3)C2)n1
InChIInChI=1S/C15H15N3O4/c19-13(11-5-1-2-6-16-11)10-4-3-7-18(8-10)15-17-12(9-22-15)14(20)21/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21)
InChIKeyVVMUYVMYDFWMNY-UHFFFAOYSA-N
XLogP1.87
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-1,3-oxazole-4-carboxylic acid
CID 146134518
[(3S)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 97194931
[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 72874366
2-(4-pyridin-2-yloxypiperidin-1-yl)-1,3-oxazole-4-carboxylic acid
CID 70846090
4-(pyridine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 116918674
[(3S)-1-(6-ethyl-1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyridin-2-ylmethanone
CID 95711494
[(3S)-1-[3-(furan-2-yl)propyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124753964
[(3S)-1-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 99929635
[(3S)-1-[6-(2-methoxyphenyl)pyridazin-3-yl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 95552211
[(3S)-1-[2-(5-methylpyrazol-1-yl)ethyl]piperidin-3-yl]-pyridin-2-ylmethanone
CID 124852139
(3S)-N-benzyl-3-(pyridine-2-carbonyl)piperidine-1-sulfonamide
CID 95525317
3-[2-oxo-2-[3-(pyridine-2-carbonyl)piperidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 77088791

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid (CID 134713696) is 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(N2CCCC(C(=O)c3ccccn3)C2)n1.
What is the InChIKey of 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is VVMUYVMYDFWMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4/c19-13(11-5-1-2-6-16-11)10-4-3-7-18(8-10)15-17-12(9-22-15)14(20)21/h1-2,5-6,9-10H,3-4,7-8H2,(H,20,21).
What are the key properties of 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid?
2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 301.30 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridine-2-carbonyl)piperidin-1-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134713696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).