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

C13H20N2O4 — CID 103251678

IUPAC5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCCOC2CCCCC2)on1
InChIInChI=1S/C13H20N2O4/c16-13(17)12-8-11(19-15-12)9-14-6-7-18-10-4-2-1-3-5-10/h8,10,14H,1-7,9H2,(H,16,17)
InChIKeyRADYHJBFWYLYIK-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.81
Rot. Bonds7

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

5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103251678) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103251678
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNCCOC2CCCCC2)on1
InChIInChI=1S/C13H20N2O4/c16-13(17)12-8-11(19-15-12)9-14-6-7-18-10-4-2-1-3-5-10/h8,10,14H,1-7,9H2,(H,16,17)
InChIKeyRADYHJBFWYLYIK-UHFFFAOYSA-N
XLogP1.81
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(2-hydroxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103238258
5-[[2-(2-amino-2-oxoethoxy)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 106238420
5-[[(2-hydroxycycloheptyl)amino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262940
5-[(oxolan-2-ylmethylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 103234752
3-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251667
5-[(4-hydroxybutylamino)methyl]-1,2-oxazole-3-carboxylic acid
CID 106842840
4-[(2-cyclopentyloxyethylamino)methyl]benzoic acid
CID 63826606
2-[(2-cyclohexyloxyethylamino)methyl]benzoic acid
CID 103251682
5-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylic acid
CID 82691708
5-[(3-cyclohexyloxypropylamino)methyl]furan-2-carboxylic acid
CID 63317129
5-[[2-(carbamoylamino)ethylamino]methyl]-1,2-oxazole-3-carboxylic acid
CID 103262446
5-(2-cycloheptyloxyethylamino)pyrazine-2-carboxylic acid
CID 122053882

Frequently Asked Questions

What is the IUPAC name of 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid (CID 103251678) is 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CNCCOC2CCCCC2)on1.
What is the InChIKey of 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is RADYHJBFWYLYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-13(17)12-8-11(19-15-12)9-14-6-7-18-10-4-2-1-3-5-10/h8,10,14H,1-7,9H2,(H,16,17).
What are the key properties of 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-cyclohexyloxyethylamino)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103251678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).