1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid

C13H18N2O4 — CID 71874511

IUPAC1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCC(C)c1ocnc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(2)11-10(14-7-19-11)12(16)15-6-4-3-5-9(15)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyRAMQYCJHDKIDRL-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.88
Rot. Bonds3

About 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid

1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 71874511) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID71874511
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCC(C)c1ocnc1C(=O)N1CCCCC1C(=O)O
InChIInChI=1S/C13H18N2O4/c1-8(2)11-10(14-7-19-11)12(16)15-6-4-3-5-9(15)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyRAMQYCJHDKIDRL-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid (CID 71874511) is 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid is CC(C)c1ocnc1C(=O)N1CCCCC1C(=O)O.
What is the InChIKey of 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is RAMQYCJHDKIDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)11-10(14-7-19-11)12(16)15-6-4-3-5-9(15)13(17)18/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propan-2-yl-1,3-oxazole-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 71874511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).