(4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one

C19H21N5O4 — CID 22629287

IUPAC(4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc3c2OCCO3)=N/C1=C/N1CCN(C2=NCCN2)CC1
InChIInChI=1S/C19H21N5O4/c25-18-14(12-23-6-8-24(9-7-23)19-20-4-5-21-19)22-17(28-18)13-2-1-3-15-16(13)27-11-10-26-15/h1-3,12H,4-11H2,(H,20,21)/b14-12+
InChIKeyYETHYYSKFBRBFU-WYMLVPIESA-N
MW383.41 g/mol
LogP0.18
Rot. Bonds2

About (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one

(4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one (PubChem CID 22629287) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one
PubChem CID22629287
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Name(4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one
SMILESO=C1OC(c2cccc3c2OCCO3)=N/C1=C/N1CCN(C2=NCCN2)CC1
InChIInChI=1S/C19H21N5O4/c25-18-14(12-23-6-8-24(9-7-23)19-20-4-5-21-19)22-17(28-18)13-2-1-3-15-16(13)27-11-10-26-15/h1-3,12H,4-11H2,(H,20,21)/b14-12+
InChIKeyYETHYYSKFBRBFU-WYMLVPIESA-N
XLogP0.18
TPSA87.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E)-2-(1-benzofuran-7-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one;hydrochloride
CID 22629387
(4E)-4-[[4-(4,5-dihydro-1,3-oxazol-2-yl)piperazin-1-yl]methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
CID 22629529
4-[(E)-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N'-pyridin-2-ylpiperazine-1-carboximidamide;hydrochloride
CID 70157841
4-[(E)-[2-(2,3-dihydro-1-benzofuran-4-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-N'-pyridin-2-ylpiperazine-1-carboximidamide;hydrochloride
CID 22629282
(4E)-4-(morpholin-4-ylmethylidene)-2-phenyl-1,3-oxazol-5-one
CID 11118732
5-(2,3-dihydro-1,4-benzodioxin-5-yl)-2,3-dihydro-1,4-benzodioxine
CID 68501402
4-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperazine-1-carboximidamide;hydrochloride
CID 70159076
1-(2-chlorophenyl)-4-(4,5-dihydro-1H-imidazol-2-yl)piperazine
CID 22335016
(4E)-2-naphthalen-1-yl-4-[(4-quinolin-8-ylsulfonylpiperazin-1-yl)methylidene]-1,3-oxazol-5-one
CID 22629324
2-naphthalen-1-yl-4-[[4-(2-thiophen-2-ylacetyl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one
CID 54128564
N'-(2-chlorophenyl)-4-[(2-naphthalen-1-yl-5-oxo-1,3-oxazol-4-ylidene)methyl]piperazine-1-carboximidamide
CID 54070928
5-(2-chlorophenyl)-2,3-dihydro-1,4-benzodioxine
CID 143319884

Frequently Asked Questions

What is the IUPAC name of (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one (CID 22629287) is (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one is O=C1OC(c2cccc3c2OCCO3)=N/C1=C/N1CCN(C2=NCCN2)CC1.
What is the InChIKey of (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one?
The InChIKey is YETHYYSKFBRBFU-WYMLVPIESA-N. The full InChI is InChI=1S/C19H21N5O4/c25-18-14(12-23-6-8-24(9-7-23)19-20-4-5-21-19)22-17(28-18)13-2-1-3-15-16(13)27-11-10-26-15/h1-3,12H,4-11H2,(H,20,21)/b14-12+.
What are the key properties of (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one?
(4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one has a molecular weight of 383.41 g/mol, XLogP of 0.18, 2 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-(2,3-dihydro-1,4-benzodioxin-5-yl)-4-[[4-(4,5-dihydro-1H-imidazol-2-yl)piperazin-1-yl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 22629287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).