5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

C13H21N3O3 — CID 112753453

IUPAC5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESCCCN(Cc1oncc1C(=O)O)C1CCNCC1
InChIInChI=1S/C13H21N3O3/c1-2-7-16(10-3-5-14-6-4-10)9-12-11(13(17)18)8-15-19-12/h8,10,14H,2-7,9H2,1H3,(H,17,18)
InChIKeyVAWLBJQFZIRJGY-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.34
Rot. Bonds6

About 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid

5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (PubChem CID 112753453) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
PubChem CID112753453
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
SMILESCCCN(Cc1oncc1C(=O)O)C1CCNCC1
InChIInChI=1S/C13H21N3O3/c1-2-7-16(10-3-5-14-6-4-10)9-12-11(13(17)18)8-15-19-12/h8,10,14H,2-7,9H2,1H3,(H,17,18)
InChIKeyVAWLBJQFZIRJGY-UHFFFAOYSA-N
XLogP1.34
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-N-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120835564
1-methyl-5-[[piperidin-3-yl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632376
5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753457
1-phenyl-2-[piperidin-4-yl(propyl)amino]ethanone
CID 62031069
N-[(1-methylpyrazol-4-yl)methyl]-N-propylpiperidin-4-amine
CID 60806152
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-propylpiperidin-4-amine
CID 60807855
N-[(5-bromo-2-pyridinyl)methyl]-N-propylpiperidin-4-amine
CID 115741636
1-[piperidin-4-yl(propyl)amino]pentan-2-one
CID 62044449
2-[piperidin-4-yl(propyl)amino]-N,N-dipropylacetamide
CID 60805133
1-methyl-5-[[piperidin-4-ylmethyl(propyl)amino]methyl]pyrazole-4-carboxylic acid
CID 116632449
methyl 6-[[piperidin-4-yl(propyl)amino]methyl]pyridine-2-carboxylate
CID 106905056
N-(5-bromo-2-pyridinyl)-2-[piperidin-4-yl(propyl)amino]acetamide
CID 60806990

Frequently Asked Questions

What is the IUPAC name of 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid (CID 112753453) is 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is CCCN(Cc1oncc1C(=O)O)C1CCNCC1.
What is the InChIKey of 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
The InChIKey is VAWLBJQFZIRJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-2-7-16(10-3-5-14-6-4-10)9-12-11(13(17)18)8-15-19-12/h8,10,14H,2-7,9H2,1H3,(H,17,18).
What are the key properties of 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid?
5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid has a molecular weight of 267.33 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[piperidin-4-yl(propyl)amino]methyl]-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 112753453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).