ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate

C10H16N4O5 — CID 62686719

IUPACethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1nonc1N
InChIInChI=1S/C10H16N4O5/c1-3-18-7(15)6-14(4-5-17-2)10(16)8-9(11)13-19-12-8/h3-6H2,1-2H3,(H2,11,13)
InChIKeyZWMMSDRVDNUEDM-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.70
Rot. Bonds7

About ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate

ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate (PubChem CID 62686719) has the molecular formula C10H16N4O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate
PubChem CID62686719
Molecular FormulaC10H16N4O5
Molecular Weight272.26 g/mol
Exact Mass272.11
IUPAC Nameethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate
SMILESCCOC(=O)CN(CCOC)C(=O)c1nonc1N
InChIInChI=1S/C10H16N4O5/c1-3-18-7(15)6-14(4-5-17-2)10(16)8-9(11)13-19-12-8/h3-6H2,1-2H3,(H2,11,13)
InChIKeyZWMMSDRVDNUEDM-UHFFFAOYSA-N
XLogP-0.70
TPSA120.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate (CID 62686719) is ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate is CCOC(=O)CN(CCOC)C(=O)c1nonc1N.
What is the InChIKey of ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate?
The InChIKey is ZWMMSDRVDNUEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O5/c1-3-18-7(15)6-14(4-5-17-2)10(16)8-9(11)13-19-12-8/h3-6H2,1-2H3,(H2,11,13).
What are the key properties of ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate?
ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate has a molecular weight of 272.26 g/mol, XLogP of -0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 62686719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).