3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C13H19N3O4 — CID 107369393

IUPAC3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCCN1CCC(NC(=O)c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C13H19N3O4/c1-2-5-16-6-3-9(4-7-16)14-12(17)10-8-11(13(18)19)20-15-10/h8-9H,2-7H2,1H3,(H,14,17)(H,18,19)
InChIKeyCHVGXFFSJGLPPI-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.98
Rot. Bonds5

About 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107369393) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107369393
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESCCCN1CCC(NC(=O)c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C13H19N3O4/c1-2-5-16-6-3-9(4-7-16)14-12(17)10-8-11(13(18)19)20-15-10/h8-9H,2-7H2,1H3,(H,14,17)(H,18,19)
InChIKeyCHVGXFFSJGLPPI-UHFFFAOYSA-N
XLogP0.98
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107369393) is 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is CCCN1CCC(NC(=O)c2cc(C(=O)O)on2)CC1.
What is the InChIKey of 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is CHVGXFFSJGLPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-2-5-16-6-3-9(4-7-16)14-12(17)10-8-11(13(18)19)20-15-10/h8-9H,2-7H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propylpiperidin-4-yl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107369393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).