1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid

C14H14N2O5 — CID 43171030

IUPAC1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(-c3ccco3)on2)C1
InChIInChI=1S/C14H14N2O5/c17-13(16-5-1-3-9(8-16)14(18)19)10-7-12(21-15-10)11-4-2-6-20-11/h2,4,6-7,9H,1,3,5,8H2,(H,18,19)
InChIKeyXDLNODJVNGUEQR-UHFFFAOYSA-N
MW290.27 g/mol
LogP1.87
Rot. Bonds3

About 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid

1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid (PubChem CID 43171030) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
PubChem CID43171030
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(C(=O)c2cc(-c3ccco3)on2)C1
InChIInChI=1S/C14H14N2O5/c17-13(16-5-1-3-9(8-16)14(18)19)10-7-12(21-15-10)11-4-2-6-20-11/h2,4,6-7,9H,1,3,5,8H2,(H,18,19)
InChIKeyXDLNODJVNGUEQR-UHFFFAOYSA-N
XLogP1.87
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(5-phenyl-1,2-oxazole-3-carbonyl)piperidine-3-carboxylic acid
CID 119113731
(3-aminopiperidin-1-yl)-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381326
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119493226
N-(2-aminoethyl)-1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119482070
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3R)-3-pyrazol-1-ylpiperidin-1-yl]methanone
CID 95280828
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255659
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 121146878
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(3S)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]methanone
CID 95286307
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334322
[5-(furan-2-yl)-1,2-oxazol-3-yl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 90584589
[3-(benzenesulfonyl)pyrrolidin-1-yl]-[5-(furan-2-yl)-1,2-oxazol-3-yl]methanone
CID 90584854

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid (CID 43171030) is 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(C(=O)c2cc(-c3ccco3)on2)C1.
What is the InChIKey of 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid?
The InChIKey is XDLNODJVNGUEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c17-13(16-5-1-3-9(8-16)14(18)19)10-7-12(21-15-10)11-4-2-6-20-11/h2,4,6-7,9H,1,3,5,8H2,(H,18,19).
What are the key properties of 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid?
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43171030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).