5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid

C10H14N2O3 — CID 117192334

IUPAC5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1ncc(CN2CCCCC2)o1
InChIInChI=1S/C10H14N2O3/c13-10(14)9-11-6-8(15-9)7-12-4-2-1-3-5-12/h6H,1-5,7H2,(H,13,14)
InChIKeyNGYODBNCOMYDGW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.36
Rot. Bonds3

About 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid

5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid (PubChem CID 117192334) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid
PubChem CID117192334
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1ncc(CN2CCCCC2)o1
InChIInChI=1S/C10H14N2O3/c13-10(14)9-11-6-8(15-9)7-12-4-2-1-3-5-12/h6H,1-5,7H2,(H,13,14)
InChIKeyNGYODBNCOMYDGW-UHFFFAOYSA-N
XLogP1.36
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid (CID 117192334) is 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid is O=C(O)c1ncc(CN2CCCCC2)o1.
What is the InChIKey of 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid?
The InChIKey is NGYODBNCOMYDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)9-11-6-8(15-9)7-12-4-2-1-3-5-12/h6H,1-5,7H2,(H,13,14).
What are the key properties of 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid?
5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperidin-1-ylmethyl)-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 117192334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).