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

C5H7N3O4 — CID 112631895

IUPAC5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNCC(O)c1nc(C(=O)O)no1
InChIInChI=1S/C5H7N3O4/c6-1-2(9)4-7-3(5(10)11)8-12-4/h2,9H,1,6H2,(H,10,11)
InChIKeyGANGOLZWHJMVFF-UHFFFAOYSA-N
MW173.13 g/mol
LogP-1.24
Rot. Bonds3

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

5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid (PubChem CID 112631895) has the molecular formula C5H7N3O4 and a molecular weight of 173.13 g/mol. Its IUPAC name is 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
PubChem CID112631895
Molecular FormulaC5H7N3O4
Molecular Weight173.13 g/mol
Exact Mass173.04
IUPAC Name5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid
SMILESNCC(O)c1nc(C(=O)O)no1
InChIInChI=1S/C5H7N3O4/c6-1-2(9)4-7-3(5(10)11)8-12-4/h2,9H,1,6H2,(H,10,11)
InChIKeyGANGOLZWHJMVFF-UHFFFAOYSA-N
XLogP-1.24
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791226
5-(5-aminopentan-2-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 104685963
5-hexan-2-yl-1,2,4-oxadiazole-3-carboxylic acid
CID 165484826
5-[amino(cyclopropyl)methyl]-1,2,4-oxadiazole-3-carboxylic acid
CID 112631766
5-(1-amino-2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 18318428
2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66167315
(1S)-2-amino-1-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]ethanol
CID 107837369
ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
CID 107837243
5-(2-amino-1,1-difluoroethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 130600729
ethyl 5-(1-aminobutan-2-yl)-1,2,4-oxadiazole-3-carboxylate
CID 112631699
1-[3-(1-adamantyl)-1,2,4-oxadiazol-5-yl]-2-aminoethanol
CID 66166098
2-amino-1-[3-(2-ethoxyethyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 106814810

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The IUPAC name of 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid (CID 112631895) is 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The canonical SMILES for 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid is NCC(O)c1nc(C(=O)O)no1.
What is the InChIKey of 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid?
The InChIKey is GANGOLZWHJMVFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O4/c6-1-2(9)4-7-3(5(10)11)8-12-4/h2,9H,1,6H2,(H,10,11).
What are the key properties of 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid?
5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid has a molecular weight of 173.13 g/mol, XLogP of -1.24, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-hydroxyethyl)-1,2,4-oxadiazole-3-carboxylic acid is sourced from PubChem (CID 112631895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).