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

C24H29N5O7 — CID 135613260

IUPACethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
SMILESCCOC(=O)CO/N=C(/C(=O)N1CCC(N2CC(COc3ccccc3)OC2=O)CC1)c1ccn[nH]1
InChIInChI=1S/C24H29N5O7/c1-2-33-21(30)16-35-27-22(20-8-11-25-26-20)23(31)28-12-9-17(10-13-28)29-14-19(36-24(29)32)15-34-18-6-4-3-5-7-18/h3-8,11,17,19H,2,9-10,12-16H2,1H3,(H,25,26)/b27-22+
InChIKeyKHMVDVHBAMCWHU-HPNDGRJYSA-N
MW499.52 g/mol
LogP1.58
Rot. Bonds10

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

ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (PubChem CID 135613260) has the molecular formula C24H29N5O7 and a molecular weight of 499.52 g/mol. Its IUPAC name is ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.

Molecular Properties

Compound Nameethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
PubChem CID135613260
Molecular FormulaC24H29N5O7
Molecular Weight499.52 g/mol
Exact Mass499.21
IUPAC Nameethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate
SMILESCCOC(=O)CO/N=C(/C(=O)N1CCC(N2CC(COc3ccccc3)OC2=O)CC1)c1ccn[nH]1
InChIInChI=1S/C24H29N5O7/c1-2-33-21(30)16-35-27-22(20-8-11-25-26-20)23(31)28-12-9-17(10-13-28)29-14-19(36-24(29)32)15-34-18-6-4-3-5-7-18/h3-8,11,17,19H,2,9-10,12-16H2,1H3,(H,25,26)/b27-22+
InChIKeyKHMVDVHBAMCWHU-HPNDGRJYSA-N
XLogP1.58
TPSA135.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-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-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The IUPAC name of ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate (CID 135613260) is ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate.
What is the SMILES notation for ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The canonical SMILES for ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is CCOC(=O)CO/N=C(/C(=O)N1CCC(N2CC(COc3ccccc3)OC2=O)CC1)c1ccn[nH]1.
What is the InChIKey of ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
The InChIKey is KHMVDVHBAMCWHU-HPNDGRJYSA-N. The full InChI is InChI=1S/C24H29N5O7/c1-2-33-21(30)16-35-27-22(20-8-11-25-26-20)23(31)28-12-9-17(10-13-28)29-14-19(36-24(29)32)15-34-18-6-4-3-5-7-18/h3-8,11,17,19H,2,9-10,12-16H2,1H3,(H,25,26)/b27-22+.
What are the key properties of ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate?
ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate has a molecular weight of 499.52 g/mol, XLogP of 1.58, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-[2-oxo-2-[4-[2-oxo-5-(phenoxymethyl)-1,3-oxazolidin-3-yl]piperidin-1-yl]-1-(1H-pyrazol-5-yl)ethylidene]amino]oxyacetate is sourced from PubChem (CID 135613260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).