2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid

C10H14N2O3 — CID 68621530

IUPAC2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCCCC2)n1
InChIInChI=1S/C10H14N2O3/c13-10(14)8-7-15-9(11-8)6-12-4-2-1-3-5-12/h7H,1-6H2,(H,13,14)
InChIKeyWSTCURFANPYLFZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.36
Rot. Bonds3

About 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid

2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 68621530) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID68621530
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(CN2CCCCC2)n1
InChIInChI=1S/C10H14N2O3/c13-10(14)8-7-15-9(11-8)6-12-4-2-1-3-5-12/h7H,1-6H2,(H,13,14)
InChIKeyWSTCURFANPYLFZ-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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Related Compounds

2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 178131740
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-ylmethyl)-1,3-oxazole-4-carboxylic acid
CID 130985561
azocan-1-yl-[2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazol-4-yl]methanone
CID 42509334
2-[[3-[2-(carboxymethyl)pyrazol-3-yl]piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 119061142
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42857996
2-[(4-benzylpiperidin-1-yl)methyl]-N-(2-pyrrolidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42850917
[2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]methyl]-1,3-oxazol-4-yl]-piperidin-1-ylmethanone
CID 42856312
2-[[2-(2-carboxyethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 56883202
2-[[4-(1-hydroxy-3-phenylpropyl)piperidin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 134696518
6-(azepan-1-ylmethyl)pyridine-2-carboxylic acid
CID 106903922
2-(cyclopentylmethyl)-1,3-oxazole-4-carboxylic acid
CID 62234263
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-N-(2-piperidin-1-ylethyl)-1,3-oxazole-4-carboxamide
CID 42858740

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid (CID 68621530) is 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(CN2CCCCC2)n1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is WSTCURFANPYLFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c13-10(14)8-7-15-9(11-8)6-12-4-2-1-3-5-12/h7H,1-6H2,(H,13,14).
What are the key properties of 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid?
2-(piperidin-1-ylmethyl)-1,3-oxazole-4-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 2-(piperidin-1-ylmethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 68621530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).