5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid

C17H18N2O5 — CID 166284866

IUPAC5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1C1CCCN(C(=O)c2occ3c2CCC3)C1
InChIInChI=1S/C17H18N2O5/c20-16(15-12-5-1-3-11(12)8-23-15)19-6-2-4-10(7-19)14-13(17(21)22)18-9-24-14/h8-10H,1-7H2,(H,21,22)
InChIKeyQEOFSBLMBMHYFY-UHFFFAOYSA-N
MW330.34 g/mol
LogP2.47
Rot. Bonds3

About 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid

5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 166284866) has the molecular formula C17H18N2O5 and a molecular weight of 330.34 g/mol. Its IUPAC name is 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID166284866
Molecular FormulaC17H18N2O5
Molecular Weight330.34 g/mol
Exact Mass330.12
IUPAC Name5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1C1CCCN(C(=O)c2occ3c2CCC3)C1
InChIInChI=1S/C17H18N2O5/c20-16(15-12-5-1-3-11(12)8-23-15)19-6-2-4-10(7-19)14-13(17(21)22)18-9-24-14/h8-10H,1-7H2,(H,21,22)
InChIKeyQEOFSBLMBMHYFY-UHFFFAOYSA-N
XLogP2.47
TPSA96.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 167827775
5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 154871926
5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 165440213
5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 138009560
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015112
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 97015113
[5-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015114
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate
CID 171692284
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317
4-[(3S)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202812
4-[(3R)-1-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)piperidin-3-yl]benzoic acid
CID 97202813

Frequently Asked Questions

What is the IUPAC name of 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid (CID 166284866) is 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1C1CCCN(C(=O)c2occ3c2CCC3)C1.
What is the InChIKey of 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is QEOFSBLMBMHYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O5/c20-16(15-12-5-1-3-11(12)8-23-15)19-6-2-4-10(7-19)14-13(17(21)22)18-9-24-14/h8-10H,1-7H2,(H,21,22).
What are the key properties of 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 330.34 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166284866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).