3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid

C14H20N2O4 — CID 146103653

IUPAC3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCCCC(=O)N1CCC(c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C14H20N2O4/c1-2-3-4-13(17)16-7-5-10(6-8-16)11-9-12(14(18)19)20-15-11/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyOJZOWXCEIPAQGJ-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.27
Rot. Bonds5

About 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid

3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid (PubChem CID 146103653) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid
PubChem CID146103653
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid
SMILESCCCCC(=O)N1CCC(c2cc(C(=O)O)on2)CC1
InChIInChI=1S/C14H20N2O4/c1-2-3-4-13(17)16-7-5-10(6-8-16)11-9-12(14(18)19)20-15-11/h9-10H,2-8H2,1H3,(H,18,19)
InChIKeyOJZOWXCEIPAQGJ-UHFFFAOYSA-N
XLogP2.27
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid (CID 146103653) is 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid is CCCCC(=O)N1CCC(c2cc(C(=O)O)on2)CC1.
What is the InChIKey of 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is OJZOWXCEIPAQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-2-3-4-13(17)16-7-5-10(6-8-16)11-9-12(14(18)19)20-15-11/h9-10H,2-8H2,1H3,(H,18,19).
What are the key properties of 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid?
3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 280.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pentanoylpiperidin-4-yl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 146103653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).