5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid

C13H13N3O4S — CID 167827775

IUPAC5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1C1CCCN(C(=O)c2ccsn2)C1
InChIInChI=1S/C13H13N3O4S/c17-12(9-3-5-21-15-9)16-4-1-2-8(6-16)11-10(13(18)19)14-7-20-11/h3,5,7-8H,1-2,4,6H2,(H,18,19)
InChIKeyNLARFBVTVFBUMP-UHFFFAOYSA-N
MW307.33 g/mol
LogP1.85
Rot. Bonds3

About 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid

5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid (PubChem CID 167827775) has the molecular formula C13H13N3O4S and a molecular weight of 307.33 g/mol. Its IUPAC name is 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
PubChem CID167827775
Molecular FormulaC13H13N3O4S
Molecular Weight307.33 g/mol
Exact Mass307.06
IUPAC Name5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1C1CCCN(C(=O)c2ccsn2)C1
InChIInChI=1S/C13H13N3O4S/c17-12(9-3-5-21-15-9)16-4-1-2-8(6-16)11-10(13(18)19)14-7-20-11/h3,5,7-8H,1-2,4,6H2,(H,18,19)
InChIKeyNLARFBVTVFBUMP-UHFFFAOYSA-N
XLogP1.85
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(5,6-dihydro-4H-cyclopenta[c]furan-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 166284866
pyrrolidin-1-yl(1,2-thiazol-3-yl)methanone
CID 170766527
5-[1-[(1S,4S)-bicyclo[2.2.0]hexane-2-carbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylic acid
CID 154871926
(3-aminopyrrolidin-1-yl)-(1,2-thiazol-3-yl)methanone
CID 170767103
5-[(2R)-1-methylpyrrolidin-2-yl]-1,3-oxazole-4-carboxylic acid
CID 165440213
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-cyclopropyl-1,3-oxazol-4-yl)methanone
CID 70728098
5-[1-(3-propan-2-ylfuran-2-carbonyl)piperidin-4-yl]-1,3-oxazole-4-carboxylic acid
CID 138009560
ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate
CID 171692284
[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
[(3S)-1-[1-(5-cyclopropyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 96580317

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid (CID 167827775) is 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1C1CCCN(C(=O)c2ccsn2)C1.
What is the InChIKey of 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is NLARFBVTVFBUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4S/c17-12(9-3-5-21-15-9)16-4-1-2-8(6-16)11-10(13(18)19)14-7-20-11/h3,5,7-8H,1-2,4,6H2,(H,18,19).
What are the key properties of 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid?
5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 307.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,2-thiazole-3-carbonyl)piperidin-3-yl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 167827775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).