(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone

C17H18ClN3O5 — CID 74227391

IUPAC(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone
SMILESCO/N=C(/C(=O)N1CCOC(COc2cccnc2Cl)C1)c1ccco1
InChIInChI=1S/C17H18ClN3O5/c1-23-20-15(13-5-3-8-25-13)17(22)21-7-9-24-12(10-21)11-26-14-4-2-6-19-16(14)18/h2-6,8,12H,7,9-11H2,1H3/b20-15+
InChIKeyZTPNFVBJQOKMNO-HMMYKYKNSA-N
MW379.80 g/mol
LogP1.98
Rot. Bonds6

About (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone

(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone (PubChem CID 74227391) has the molecular formula C17H18ClN3O5 and a molecular weight of 379.80 g/mol. Its IUPAC name is (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone.

Molecular Properties

Compound Name(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone
PubChem CID74227391
Molecular FormulaC17H18ClN3O5
Molecular Weight379.80 g/mol
Exact Mass379.09
IUPAC Name(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone
SMILESCO/N=C(/C(=O)N1CCOC(COc2cccnc2Cl)C1)c1ccco1
InChIInChI=1S/C17H18ClN3O5/c1-23-20-15(13-5-3-8-25-13)17(22)21-7-9-24-12(10-21)11-26-14-4-2-6-19-16(14)18/h2-6,8,12H,7,9-11H2,1H3/b20-15+
InChIKeyZTPNFVBJQOKMNO-HMMYKYKNSA-N
XLogP1.98
TPSA86.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone?
The IUPAC name of (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone (CID 74227391) is (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone.
What is the SMILES notation for (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone?
The canonical SMILES for (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone is CO/N=C(/C(=O)N1CCOC(COc2cccnc2Cl)C1)c1ccco1.
What is the InChIKey of (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone?
The InChIKey is ZTPNFVBJQOKMNO-HMMYKYKNSA-N. The full InChI is InChI=1S/C17H18ClN3O5/c1-23-20-15(13-5-3-8-25-13)17(22)21-7-9-24-12(10-21)11-26-14-4-2-6-19-16(14)18/h2-6,8,12H,7,9-11H2,1H3/b20-15+.
What are the key properties of (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone?
(2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone has a molecular weight of 379.80 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[2-[(2-chloro-3-pyridinyl)oxymethyl]morpholin-4-yl]-2-(furan-2-yl)-2-methoxyiminoethanone is sourced from PubChem (CID 74227391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).