5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid

C5H7N3O3 — CID 55252728

IUPAC5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCNCc1nc(C(=O)O)no1
InChIInChI=1S/C5H7N3O3/c1-6-2-3-7-4(5(9)10)8-11-3/h6H,2H2,1H3,(H,9,10)
InChIKeyLJALKXVBONUZPR-UHFFFAOYSA-N
MW157.13 g/mol
LogP-0.51
Rot. Bonds3

About 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid

5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 55252728) has the molecular formula C5H7N3O3 and a molecular weight of 157.13 g/mol. Its IUPAC name is 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID55252728
Molecular FormulaC5H7N3O3
Molecular Weight157.13 g/mol
Exact Mass157.05
IUPAC Name5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESCNCc1nc(C(=O)O)no1
InChIInChI=1S/C5H7N3O3/c1-6-2-3-7-4(5(9)10)8-11-3/h6H,2H2,1H3,(H,9,10)
InChIKeyLJALKXVBONUZPR-UHFFFAOYSA-N
XLogP-0.51
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790320
5-[2-(propan-2-ylamino)ethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631921
5-[(2-methylpropan-2-yl)oxymethyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112603813
5-heptyl-1,2,4-oxadiazole-3-carboxylic acid
CID 63448668
5-(2-ethoxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382755
5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 115079120
[5-(methylaminomethyl)-1,2,4-oxadiazol-3-yl]-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]methanone
CID 143943642
5-(4-aminopentyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112631792
5-(cyclopentylmethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382576
5-(2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383194
5-[2-(cyanomethyl)-2-methylbutyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 106526618
5-(2-anilinoethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 112632052

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 55252728) is 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid is CNCc1nc(C(=O)O)no1.
What is the InChIKey of 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is LJALKXVBONUZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O3/c1-6-2-3-7-4(5(9)10)8-11-3/h6H,2H2,1H3,(H,9,10).
What are the key properties of 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 157.13 g/mol, XLogP of -0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 55252728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).