ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate

C12H19N3O5 — CID 19707222

IUPACethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(OCCCN)no1
InChIInChI=1S/C12H19N3O5/c1-2-18-11(16)4-6-14-12(17)9-8-10(15-20-9)19-7-3-5-13/h8H,2-7,13H2,1H3,(H,14,17)
InChIKeyBFVAMZRGSJVPKZ-UHFFFAOYSA-N
MW285.30 g/mol
LogP0.09
Rot. Bonds9

About ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate

ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate (PubChem CID 19707222) has the molecular formula C12H19N3O5 and a molecular weight of 285.30 g/mol. Its IUPAC name is ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate
PubChem CID19707222
Molecular FormulaC12H19N3O5
Molecular Weight285.30 g/mol
Exact Mass285.13
IUPAC Nameethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate
SMILESCCOC(=O)CCNC(=O)c1cc(OCCCN)no1
InChIInChI=1S/C12H19N3O5/c1-2-18-11(16)4-6-14-12(17)9-8-10(15-20-9)19-7-3-5-13/h8H,2-7,13H2,1H3,(H,14,17)
InChIKeyBFVAMZRGSJVPKZ-UHFFFAOYSA-N
XLogP0.09
TPSA116.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate?
The IUPAC name of ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate (CID 19707222) is ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate is CCOC(=O)CCNC(=O)c1cc(OCCCN)no1.
What is the InChIKey of ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate?
The InChIKey is BFVAMZRGSJVPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O5/c1-2-18-11(16)4-6-14-12(17)9-8-10(15-20-9)19-7-3-5-13/h8H,2-7,13H2,1H3,(H,14,17).
What are the key properties of ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate?
ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate has a molecular weight of 285.30 g/mol, XLogP of 0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[3-(3-aminopropoxy)-1,2-oxazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 19707222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).