5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid

C16H20N2O4 — CID 154871926

IUPAC5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1C1CCCN(C(=O)C2C[C@@H]3CC[C@H]23)C1
InChIInChI=1S/C16H20N2O4/c19-15(12-6-9-3-4-11(9)12)18-5-1-2-10(7-18)14-13(16(20)21)17-8-22-14/h8-12H,1-7H2,(H,20,21)/t9-,10?,11-,12?/m0/s1
InChIKeyXKHDZPPTXVRGKT-VOBJUBJWSA-N
MW304.35 g/mol
LogP2.12
Rot. Bonds3

About 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid

5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 154871926) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID154871926
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1C1CCCN(C(=O)C2C[C@@H]3CC[C@H]23)C1
InChIInChI=1S/C16H20N2O4/c19-15(12-6-9-3-4-11(9)12)18-5-1-2-10(7-18)14-13(16(20)21)17-8-22-14/h8-12H,1-7H2,(H,20,21)/t9-,10?,11-,12?/m0/s1
InChIKeyXKHDZPPTXVRGKT-VOBJUBJWSA-N
XLogP2.12
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-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-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 166284866
5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 165440213
5-[1-[(1S,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-carbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 166313841
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
(2-cyclopropylcyclopropyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119493995
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
cis-(1R,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131675
trans-(1S,2S)-2-[(3R)-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 125131677
[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

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid (CID 154871926) is 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1C1CCCN(C(=O)C2C[C@@H]3CC[C@H]23)C1.
What is the InChIKey of 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is XKHDZPPTXVRGKT-VOBJUBJWSA-N. The full InChI is InChI=1S/C16H20N2O4/c19-15(12-6-9-3-4-11(9)12)18-5-1-2-10(7-18)14-13(16(20)21)17-8-22-14/h8-12H,1-7H2,(H,20,21)/t9-,10?,11-,12?/m0/s1.
What are the key properties of 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 154871926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).