ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate

C18H25N5O6 — CID 135821927

IUPACethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
SMILESCCOC(=O)CO/N=C(/C(=O)N1CCC(N2CC(C)OC2=O)CC1)c1ccn[nH]1
InChIInChI=1S/C18H25N5O6/c1-3-27-15(24)11-28-21-16(14-4-7-19-20-14)17(25)22-8-5-13(6-9-22)23-10-12(2)29-18(23)26/h4,7,12-13H,3,5-6,8-11H2,1-2H3,(H,19,20)/b21-16+
InChIKeyJUZSDLNWMPAGTL-LTGZKZEYSA-N
MW407.43 g/mol
LogP0.53
Rot. Bonds7

About ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate

ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (PubChem CID 135821927) has the molecular formula C18H25N5O6 and a molecular weight of 407.43 g/mol. Its IUPAC name is ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
PubChem CID135821927
Molecular FormulaC18H25N5O6
Molecular Weight407.43 g/mol
Exact Mass407.18
IUPAC Nameethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
SMILESCCOC(=O)CO/N=C(/C(=O)N1CCC(N2CC(C)OC2=O)CC1)c1ccn[nH]1
InChIInChI=1S/C18H25N5O6/c1-3-27-15(24)11-28-21-16(14-4-7-19-20-14)17(25)22-8-5-13(6-9-22)23-10-12(2)29-18(23)26/h4,7,12-13H,3,5-6,8-11H2,1-2H3,(H,19,20)/b21-16+
InChIKeyJUZSDLNWMPAGTL-LTGZKZEYSA-N
XLogP0.53
TPSA126.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The IUPAC name of ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (CID 135821927) is ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.
What is the SMILES notation for ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The canonical SMILES for ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is CCOC(=O)CO/N=C(/C(=O)N1CCC(N2CC(C)OC2=O)CC1)c1ccn[nH]1.
What is the InChIKey of ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The InChIKey is JUZSDLNWMPAGTL-LTGZKZEYSA-N. The full InChI is InChI=1S/C18H25N5O6/c1-3-27-15(24)11-28-21-16(14-4-7-19-20-14)17(25)22-8-5-13(6-9-22)23-10-12(2)29-18(23)26/h4,7,12-13H,3,5-6,8-11H2,1-2H3,(H,19,20)/b21-16+.
What are the key properties of ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate has a molecular weight of 407.43 g/mol, XLogP of 0.53, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-[2-[4-(5-methyl-2-oxo-1,3-oxazolidin-3-yl)piperidin-1-yl]-2-oxo-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is sourced from PubChem (CID 135821927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).