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

C20H29N5O6 — CID 3685869

IUPACethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
SMILESCCOC(=O)CON=C(C(=O)N1CCC(N2C(=O)OCC2C(C)C)CC1)c1ccn[nH]1
InChIInChI=1S/C20H29N5O6/c1-4-29-17(26)12-31-23-18(15-5-8-21-22-15)19(27)24-9-6-14(7-10-24)25-16(13(2)3)11-30-20(25)28/h5,8,13-14,16H,4,6-7,9-12H2,1-3H3,(H,21,22)
InChIKeyUXDIVUWEWXNNET-UHFFFAOYSA-N
MW435.48 g/mol
LogP1.16
Rot. Bonds8

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

ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (PubChem CID 3685869) has the molecular formula C20H29N5O6 and a molecular weight of 435.48 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
PubChem CID3685869
Molecular FormulaC20H29N5O6
Molecular Weight435.48 g/mol
Exact Mass435.21
IUPAC Nameethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
SMILESCCOC(=O)CON=C(C(=O)N1CCC(N2C(=O)OCC2C(C)C)CC1)c1ccn[nH]1
InChIInChI=1S/C20H29N5O6/c1-4-29-17(26)12-31-23-18(15-5-8-21-22-15)19(27)24-9-6-14(7-10-24)25-16(13(2)3)11-30-20(25)28/h5,8,13-14,16H,4,6-7,9-12H2,1-3H3,(H,21,22)
InChIKeyUXDIVUWEWXNNET-UHFFFAOYSA-N
XLogP1.16
TPSA126.42 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 51.16
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'}

Analyze ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The IUPAC name of ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (CID 3685869) is ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The canonical SMILES for ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is CCOC(=O)CON=C(C(=O)N1CCC(N2C(=O)OCC2C(C)C)CC1)c1ccn[nH]1.
What is the InChIKey of ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The InChIKey is UXDIVUWEWXNNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O6/c1-4-29-17(26)12-31-23-18(15-5-8-21-22-15)19(27)24-9-6-14(7-10-24)25-16(13(2)3)11-30-20(25)28/h5,8,13-14,16H,4,6-7,9-12H2,1-3H3,(H,21,22).
What are the key properties of ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate has a molecular weight of 435.48 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-[4-(2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl)piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is sourced from PubChem (CID 3685869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).