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

C13H20N2O3 — CID 83056535

IUPAC5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCC1CCCCN1Cc1cc(C(=O)O)no1
InChIInChI=1S/C13H20N2O3/c1-2-5-10-6-3-4-7-15(10)9-11-8-12(13(16)17)14-18-11/h8,10H,2-7,9H2,1H3,(H,16,17)
InChIKeyWBNSHJGCKYDAOC-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.53
Rot. Bonds5

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

5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 83056535) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID83056535
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESCCCC1CCCCN1Cc1cc(C(=O)O)no1
InChIInChI=1S/C13H20N2O3/c1-2-5-10-6-3-4-7-15(10)9-11-8-12(13(16)17)14-18-11/h8,10H,2-7,9H2,1H3,(H,16,17)
InChIKeyWBNSHJGCKYDAOC-UHFFFAOYSA-N
XLogP2.53
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-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

5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397898
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908
3-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216991
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 63569876
N-[[5-[(2-ethylpiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62417960
5-[(2,5-dimethylmorpholin-4-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397972
3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-2-yl]propanoic acid
CID 62216318
3-methyl-4-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 114485591
2-fluoro-5-[(2-propylpiperidin-1-yl)methyl]benzoic acid
CID 107880904
N-[[5-[(2-propylpiperidin-1-yl)methyl]furan-3-yl]methyl]ethanamine
CID 83062404
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-2-yl]acetic acid
CID 66191336

Frequently Asked Questions

What is the IUPAC name of 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 83056535) is 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is CCCC1CCCCN1Cc1cc(C(=O)O)no1.
What is the InChIKey of 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is WBNSHJGCKYDAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-5-10-6-3-4-7-15(10)9-11-8-12(13(16)17)14-18-11/h8,10H,2-7,9H2,1H3,(H,16,17).
What are the key properties of 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 252.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-propylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83056535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).