5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid

C11H15NO4 — CID 66322137

IUPAC5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCC2CCCC2)on1
InChIInChI=1S/C11H15NO4/c13-11(14)10-5-9(16-12-10)7-15-6-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,13,14)
InChIKeyNPXALUCJEVGTNH-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.08
Rot. Bonds5

About 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid

5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 66322137) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID66322137
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCC2CCCC2)on1
InChIInChI=1S/C11H15NO4/c13-11(14)10-5-9(16-12-10)7-15-6-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,13,14)
InChIKeyNPXALUCJEVGTNH-UHFFFAOYSA-N
XLogP2.08
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(piperidin-3-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 83212217
5-(propoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 61397567
5-(cyclobutylmethoxymethyl)-1H-pyrazole-3-carboxylic acid
CID 95732657
5-(cyclohexylsulfinylmethyl)-1,2-oxazole-3-carboxylic acid
CID 61397853
5-(oxolan-2-ylmethoxymethyl)-1,2-oxazole-3-carbohydrazide
CID 55213200
5-[(2-methylpiperidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
CID 61397908
5-[[(2-hydroxycycloheptyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262940
5-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 112586972
5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103251678
5-[(4-phenylphenyl)methoxymethyl]-1,2-oxazole-3-carboxylic acid
CID 118536656
5-[(3,5-dimethylcyclohexyl)oxymethyl]-1,2-oxazole-3-carboxylic acid
CID 64730368
5-(1-benzothiophen-2-ylmethoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 90326056

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid (CID 66322137) is 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCC2CCCC2)on1.
What is the InChIKey of 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NPXALUCJEVGTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-11(14)10-5-9(16-12-10)7-15-6-8-3-1-2-4-8/h5,8H,1-4,6-7H2,(H,13,14).
What are the key properties of 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 225.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethoxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 66322137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).