(5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one

C26H35N3O3 — CID 59297359

IUPAC(5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one
SMILESO=C1/C(=C\c2ccc(N3CCOCC3)cc2)O/C(=N\C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C26H35N3O3/c30-25-24(19-20-11-13-22(14-12-20)28-15-17-31-18-16-28)32-26(27-21-7-3-1-4-8-21)29(25)23-9-5-2-6-10-23/h11-14,19,21,23H,1-10,15-18H2/b24-19+,27-26-
InChIKeyWYMMVTXREQAKOJ-GJHWIIEUSA-N
MW437.58 g/mol
LogP4.74
Rot. Bonds4

About (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one

(5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one (PubChem CID 59297359) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one
PubChem CID59297359
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name(5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one
SMILESO=C1/C(=C\c2ccc(N3CCOCC3)cc2)O/C(=N\C2CCCCC2)N1C1CCCCC1
InChIInChI=1S/C26H35N3O3/c30-25-24(19-20-11-13-22(14-12-20)28-15-17-31-18-16-28)32-26(27-21-7-3-1-4-8-21)29(25)23-9-5-2-6-10-23/h11-14,19,21,23H,1-10,15-18H2/b24-19+,27-26-
InChIKeyWYMMVTXREQAKOJ-GJHWIIEUSA-N
XLogP4.74
TPSA54.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one (CID 59297359) is (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one is O=C1/C(=C\c2ccc(N3CCOCC3)cc2)O/C(=N\C2CCCCC2)N1C1CCCCC1.
What is the InChIKey of (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one?
The InChIKey is WYMMVTXREQAKOJ-GJHWIIEUSA-N. The full InChI is InChI=1S/C26H35N3O3/c30-25-24(19-20-11-13-22(14-12-20)28-15-17-31-18-16-28)32-26(27-21-7-3-1-4-8-21)29(25)23-9-5-2-6-10-23/h11-14,19,21,23H,1-10,15-18H2/b24-19+,27-26-.
What are the key properties of (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one?
(5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one has a molecular weight of 437.58 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-cyclohexyl-2-cyclohexylimino-5-[(4-morpholin-4-ylphenyl)methylidene]-1,3-oxazolidin-4-one is sourced from PubChem (CID 59297359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).