ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate

C8H13N3O4 — CID 107837243

IUPACethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(O)CCN)n1
InChIInChI=1S/C8H13N3O4/c1-2-14-8(13)6-10-7(15-11-6)5(12)3-4-9/h5,12H,2-4,9H2,1H3
InChIKeyAVGFNZJPVXFIEK-UHFFFAOYSA-N
MW215.21 g/mol
LogP-0.37
Rot. Bonds5

About ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate

ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate (PubChem CID 107837243) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
PubChem CID107837243
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Nameethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate
SMILESCCOC(=O)c1noc(C(O)CCN)n1
InChIInChI=1S/C8H13N3O4/c1-2-14-8(13)6-10-7(15-11-6)5(12)3-4-9/h5,12H,2-4,9H2,1H3
InChIKeyAVGFNZJPVXFIEK-UHFFFAOYSA-N
XLogP-0.37
TPSA111.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate?
The IUPAC name of ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate (CID 107837243) is ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate.
What is the SMILES notation for ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate?
The canonical SMILES for ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate is CCOC(=O)c1noc(C(O)CCN)n1.
What is the InChIKey of ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate?
The InChIKey is AVGFNZJPVXFIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-2-14-8(13)6-10-7(15-11-6)5(12)3-4-9/h5,12H,2-4,9H2,1H3.
What are the key properties of ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate?
ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate has a molecular weight of 215.21 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3-amino-1-hydroxypropyl)-1,2,4-oxadiazole-3-carboxylate is sourced from PubChem (CID 107837243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).