5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid

C12H18N2O5 — CID 82691708

IUPAC5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(OCCO)CC2)on1
InChIInChI=1S/C12H18N2O5/c15-5-6-18-9-1-3-14(4-2-9)8-10-7-11(12(16)17)13-19-10/h7,9,15H,1-6,8H2,(H,16,17)
InChIKeyVIBMWBRRDUUSLB-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.35
Rot. Bonds6

About 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid

5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 82691708) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID82691708
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CN2CCC(OCCO)CC2)on1
InChIInChI=1S/C12H18N2O5/c15-5-6-18-9-1-3-14(4-2-9)8-10-7-11(12(16)17)13-19-10/h7,9,15H,1-6,8H2,(H,16,17)
InChIKeyVIBMWBRRDUUSLB-UHFFFAOYSA-N
XLogP0.35
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[[4-(2-hydroxyethoxy)piperidin-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

2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidin-4-yl]oxyethanol
CID 115771137
2-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]piperidin-4-yl]oxyethanol
CID 82691821
5-[[4-(dimethylamino)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 61397827
5-[(3,4-dihydroxypyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 106670144
5-[(4-oxopiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397903
5-(piperazin-1-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397942
5-[[4-(2-methylpropyl)piperazin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 55117077
5-[(3-morpholin-4-ylpyrrolidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 63170748
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-5-methylfuran-2-carboxylic acid
CID 82691035
5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103251678
5-(3-azaspiro[5.5]undecan-3-ylmethyl)-1,2-oxazole-3-carboxylic acid
CID 62937964
5-[(4-methyl-1,4-diazepan-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397847

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid (CID 82691708) is 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CN2CCC(OCCO)CC2)on1.
What is the InChIKey of 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is VIBMWBRRDUUSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c15-5-6-18-9-1-3-14(4-2-9)8-10-7-11(12(16)17)13-19-10/h7,9,15H,1-6,8H2,(H,16,17).
What are the key properties of 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 270.28 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 82691708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).