(5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one

C22H31N3O2 — CID 59297361

IUPAC(5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)O/C1=N\C1CCCCC1
InChIInChI=1S/C22H31N3O2/c1-4-24(5-2)19-14-12-17(13-15-19)16-20-21(26)25(6-3)22(27-20)23-18-10-8-7-9-11-18/h12-16,18H,4-11H2,1-3H3/b20-16+,23-22-
InChIKeySJBWCPGOZRQGRS-SUJVXMJXSA-N
MW369.51 g/mol
LogP4.44
Rot. Bonds6

About (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one

(5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one (PubChem CID 59297361) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one
PubChem CID59297361
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name(5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one
SMILESCCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)O/C1=N\C1CCCCC1
InChIInChI=1S/C22H31N3O2/c1-4-24(5-2)19-14-12-17(13-15-19)16-20-21(26)25(6-3)22(27-20)23-18-10-8-7-9-11-18/h12-16,18H,4-11H2,1-3H3/b20-16+,23-22-
InChIKeySJBWCPGOZRQGRS-SUJVXMJXSA-N
XLogP4.44
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one (CID 59297361) is (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one is CCN1C(=O)/C(=C\c2ccc(N(CC)CC)cc2)O/C1=N\C1CCCCC1.
What is the InChIKey of (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one?
The InChIKey is SJBWCPGOZRQGRS-SUJVXMJXSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-4-24(5-2)19-14-12-17(13-15-19)16-20-21(26)25(6-3)22(27-20)23-18-10-8-7-9-11-18/h12-16,18H,4-11H2,1-3H3/b20-16+,23-22-.
What are the key properties of (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one?
(5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one has a molecular weight of 369.51 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2-cyclohexylimino-5-[[4-(diethylamino)phenyl]methylidene]-3-ethyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 59297361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).