1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid

C13H20N2O3 — CID 110838474

IUPAC1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
SMILESCc1nc(C)c(C(C)N2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C13H20N2O3/c1-8-12(18-10(3)14-8)9(2)15-6-4-5-11(7-15)13(16)17/h9,11H,4-7H2,1-3H3,(H,16,17)
InChIKeyKDSDVSODBYRAJA-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.15
Rot. Bonds3

About 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid

1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid (PubChem CID 110838474) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
PubChem CID110838474
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
SMILESCc1nc(C)c(C(C)N2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C13H20N2O3/c1-8-12(18-10(3)14-8)9(2)15-6-4-5-11(7-15)13(16)17/h9,11H,4-7H2,1-3H3,(H,16,17)
InChIKeyKDSDVSODBYRAJA-UHFFFAOYSA-N
XLogP2.15
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-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

Related Compounds

1-[1-(4-methyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid
CID 110838475
1-propan-2-ylazepane-3-carboxylic acid
CID 83618658
(3S)-1-[(1S)-1-(1,3-thiazol-2-yl)ethyl]piperidine-3-carboxylic acid
CID 96925793
1-[1-(2,4-dimethylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026423
tert-butyl (3S)-1-(1-phenylethyl)piperidine-3-carboxylate;(3S)-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 162050309
1-[1-(4-propylphenyl)ethyl]piperidine-3-carboxylic acid
CID 65054052
1-[1-(2-methoxy-5-methylphenyl)-1-oxopropan-2-yl]piperidine-3-carboxylic acid
CID 82026424
(3S)-1-[(3R)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-3-carboxylic acid
CID 118103357
1-(2-methyl-1-phenylpropyl)piperidine-3-carboxylic acid
CID 65054275
CID 89024424
CID 89024424
1-[1-(5-tert-butyl-1,3-oxazol-2-yl)ethyl]pyrrolidine-3-carboxylic acid
CID 119904496
1-[1-(6-methyl-2-pyridinyl)propyl]piperidine-3-carboxylic acid
CID 4677151

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid (CID 110838474) is 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid is Cc1nc(C)c(C(C)N2CCCC(C(=O)O)C2)o1.
What is the InChIKey of 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid?
The InChIKey is KDSDVSODBYRAJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-12(18-10(3)14-8)9(2)15-6-4-5-11(7-15)13(16)17/h9,11H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid?
1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dimethyl-1,3-oxazol-5-yl)ethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 110838474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).