1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid

C13H18N2O4 — CID 119167740

IUPAC1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)O)C2)on1
InChIInChI=1S/C13H18N2O4/c1-8(2)10-6-11(19-14-10)12(16)15-5-3-4-9(7-15)13(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySOPSDCRPPBRIAL-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.73
Rot. Bonds3

About 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid

1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid (PubChem CID 119167740) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
PubChem CID119167740
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
SMILESCC(C)c1cc(C(=O)N2CCCC(C(=O)O)C2)on1
InChIInChI=1S/C13H18N2O4/c1-8(2)10-6-11(19-14-10)12(16)15-5-3-4-9(7-15)13(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18)
InChIKeySOPSDCRPPBRIAL-UHFFFAOYSA-N
XLogP1.73
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-phenyl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 119167795
6-methyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid
CID 122113554
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3S)-3-propoxypiperidin-1-yl]methanone
CID 95376983
(3-propan-2-yl-1,2-oxazol-5-yl)-[(3R)-3-(1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 124992269
N-phenyl-1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-sulfonamide
CID 75476106
[3-[2-(dimethylamino)-4-pyridinyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 127246886
[3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 110119492
[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 124997628
[3-[5-(imidazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 72905802
[3-[[4-(hydroxymethyl)triazol-1-yl]methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 45210866
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(methylamino)piperidin-1-yl]methanone
CID 124574903
[3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-(3-propan-2-yl-1,2-oxazol-5-yl)methanone
CID 70756243

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid (CID 119167740) is 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid is CC(C)c1cc(C(=O)N2CCCC(C(=O)O)C2)on1.
What is the InChIKey of 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
The InChIKey is SOPSDCRPPBRIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)10-6-11(19-14-10)12(16)15-5-3-4-9(7-15)13(17)18/h6,8-9H,3-5,7H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid?
1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 119167740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).