ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate

C10H15N3O3 — CID 106402071

IUPACethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCc1ncon1)C(=O)OCC
InChIInChI=1S/C10H15N3O3/c1-3-15-10(14)8(2)6-11-5-4-9-12-7-16-13-9/h7,11H,2-6H2,1H3
InChIKeyIUUZQPBCVNCCHT-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.32
Rot. Bonds7

About ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate

ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate (PubChem CID 106402071) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate
PubChem CID106402071
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Nameethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate
SMILESC=C(CNCCc1ncon1)C(=O)OCC
InChIInChI=1S/C10H15N3O3/c1-3-15-10(14)8(2)6-11-5-4-9-12-7-16-13-9/h7,11H,2-6H2,1H3
InChIKeyIUUZQPBCVNCCHT-UHFFFAOYSA-N
XLogP0.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[3-(1,2,4-Oxadiazol-3-ylmethylamino)-3-oxopropyl] 2-methylprop-2-enoate
CID 178076792
ethyl (E)-4-(1,2,4-oxadiazol-3-ylmethylamino)but-2-enoate
CID 106398696
Ethyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400421
Ethyl 2-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400458
ethyl (E)-4-[2-(1,2,4-oxadiazol-3-yl)ethylamino]but-2-enoate
CID 106400493
Methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400633
Methyl 2-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]propanoate
CID 106400854
Ethyl 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]prop-2-enoate
CID 106401702
Methyl 2-methyl-4-(1,2,4-oxadiazol-3-ylmethylamino)but-2-enoate
CID 106401784
Ethyl 2-[(1,2,4-oxadiazol-3-ylmethylamino)methyl]prop-2-enoate
CID 106401832
Methyl 2-methyl-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]but-2-enoate
CID 106401908
Ethyl 2-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]prop-2-enoate
CID 106401959

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate?
The IUPAC name of ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate (CID 106402071) is ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate.
What is the SMILES notation for ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate?
The canonical SMILES for ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate is C=C(CNCCc1ncon1)C(=O)OCC.
What is the InChIKey of ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate?
The InChIKey is IUUZQPBCVNCCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-3-15-10(14)8(2)6-11-5-4-9-12-7-16-13-9/h7,11H,2-6H2,1H3.
What are the key properties of ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate?
ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate has a molecular weight of 225.25 g/mol, XLogP of 0.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(1,2,4-oxadiazol-3-yl)ethylamino]methyl]prop-2-enoate is sourced from PubChem (CID 106402071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).