1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid

C10H14N2O3 — CID 139537578

IUPAC1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cnco2)CC1
InChIInChI=1S/C10H14N2O3/c13-10(14)8-1-3-12(4-2-8)6-9-5-11-7-15-9/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyXBDKVVNIWZARGB-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.97
Rot. Bonds3

About 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid

1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid (PubChem CID 139537578) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid
PubChem CID139537578
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2cnco2)CC1
InChIInChI=1S/C10H14N2O3/c13-10(14)8-1-3-12(4-2-8)6-9-5-11-7-15-9/h5,7-8H,1-4,6H2,(H,13,14)
InChIKeyXBDKVVNIWZARGB-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid (CID 139537578) is 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2cnco2)CC1.
What is the InChIKey of 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid?
The InChIKey is XBDKVVNIWZARGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)8-1-3-12(4-2-8)6-9-5-11-7-15-9/h5,7-8H,1-4,6H2,(H,13,14).
What are the key properties of 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid?
1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-oxazol-5-ylmethyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 139537578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).