4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one

C17H20N2O6 — CID 4201220

IUPAC4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1cc(C2=NC(=CN3CCOCC3)C(=O)O2)cc(OC)c1OC
InChIInChI=1S/C17H20N2O6/c1-21-13-8-11(9-14(22-2)15(13)23-3)16-18-12(17(20)25-16)10-19-4-6-24-7-5-19/h8-10H,4-7H2,1-3H3
InChIKeyOCNUJIUAQJCBCP-UHFFFAOYSA-N
MW348.36 g/mol
LogP1.19
Rot. Bonds5

About 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one

4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one (PubChem CID 4201220) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
PubChem CID4201220
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
SMILESCOc1cc(C2=NC(=CN3CCOCC3)C(=O)O2)cc(OC)c1OC
InChIInChI=1S/C17H20N2O6/c1-21-13-8-11(9-14(22-2)15(13)23-3)16-18-12(17(20)25-16)10-19-4-6-24-7-5-19/h8-10H,4-7H2,1-3H3
InChIKeyOCNUJIUAQJCBCP-UHFFFAOYSA-N
XLogP1.19
TPSA78.82 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
CID 11118732
4-[(4-chlorophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 3316421
4-[(2,5-dimethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 5218234
(4Z)-4-[(3-chlorophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 6242887
(4Z)-4-[(2-ethoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 6509942
[4-[(E)-[5-oxo-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 1241389
(4E)-4-[(3-bromo-4-fluorophenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 92931425
(4E)-2-pyridin-4-yl-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 108936738
(4Z)-2-(2-iodophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 22302549
2-(3-methylphenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1218979
(4Z)-2-(2-fluorophenyl)-4-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 1270679
(4Z)-4-[(3-prop-2-enoxyphenyl)methylidene]-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one
CID 6212811

Frequently Asked Questions

What is the IUPAC name of 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
The IUPAC name of 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one (CID 4201220) is 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
The canonical SMILES for 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one is COc1cc(C2=NC(=CN3CCOCC3)C(=O)O2)cc(OC)c1OC.
What is the InChIKey of 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
The InChIKey is OCNUJIUAQJCBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-21-13-8-11(9-14(22-2)15(13)23-3)16-18-12(17(20)25-16)10-19-4-6-24-7-5-19/h8-10H,4-7H2,1-3H3.
What are the key properties of 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one?
4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one has a molecular weight of 348.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(morpholin-4-ylmethylidene)-2-(3,4,5-trimethoxyphenyl)-1,3-oxazol-5-one is sourced from PubChem (CID 4201220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).