(5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one

C22H33N3O2 — CID 134503014

IUPAC(5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one
SMILESC/C=C(\C=C/CNCC)/C=C1/O/C(=N\C2CCCC2)N(C2CCCC2)C1=O
InChIInChI=1S/C22H33N3O2/c1-3-17(10-9-15-23-4-2)16-20-21(26)25(19-13-7-8-14-19)22(27-20)24-18-11-5-6-12-18/h3,9-10,16,18-19,23H,4-8,11-15H2,1-2H3/b10-9-,17-3+,20-16+,24-22-
InChIKeyCFMNAVQHZBUJIX-JXZSEENESA-N
MW371.53 g/mol
LogP4.08
Rot. Bonds7

About (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one

(5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one (PubChem CID 134503014) has the molecular formula C22H33N3O2 and a molecular weight of 371.53 g/mol. Its IUPAC name is (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name(5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one
PubChem CID134503014
Molecular FormulaC22H33N3O2
Molecular Weight371.53 g/mol
Exact Mass371.26
IUPAC Name(5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one
SMILESC/C=C(\C=C/CNCC)/C=C1/O/C(=N\C2CCCC2)N(C2CCCC2)C1=O
InChIInChI=1S/C22H33N3O2/c1-3-17(10-9-15-23-4-2)16-20-21(26)25(19-13-7-8-14-19)22(27-20)24-18-11-5-6-12-18/h3,9-10,16,18-19,23H,4-8,11-15H2,1-2H3/b10-9-,17-3+,20-16+,24-22-
InChIKeyCFMNAVQHZBUJIX-JXZSEENESA-N
XLogP4.08
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one?
The IUPAC name of (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one (CID 134503014) is (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one.
What is the SMILES notation for (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one?
The canonical SMILES for (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one is C/C=C(\C=C/CNCC)/C=C1/O/C(=N\C2CCCC2)N(C2CCCC2)C1=O.
What is the InChIKey of (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one?
The InChIKey is CFMNAVQHZBUJIX-JXZSEENESA-N. The full InChI is InChI=1S/C22H33N3O2/c1-3-17(10-9-15-23-4-2)16-20-21(26)25(19-13-7-8-14-19)22(27-20)24-18-11-5-6-12-18/h3,9-10,16,18-19,23H,4-8,11-15H2,1-2H3/b10-9-,17-3+,20-16+,24-22-.
What are the key properties of (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one?
(5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one has a molecular weight of 371.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-cyclopentyl-2-cyclopentylimino-5-[(Z,2E)-5-(ethylamino)-2-ethylidenepent-3-enylidene]-1,3-oxazolidin-4-one is sourced from PubChem (CID 134503014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).