(4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one

C25H25ClN2O5 — CID 26496634

IUPAC(4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C25H25ClN2O5/c1-2-31-22-14-17(9-10-21(22)32-16-23(29)28-11-4-3-5-12-28)13-20-25(30)33-24(27-20)18-7-6-8-19(26)15-18/h6-10,13-15H,2-5,11-12,16H2,1H3/b20-13-
InChIKeyMAIFTFUSSXWYDQ-MOSHPQCFSA-N
MW468.94 g/mol
LogP4.47
Rot. Bonds7

About (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 26496634) has the molecular formula C25H25ClN2O5 and a molecular weight of 468.94 g/mol. Its IUPAC name is (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID26496634
Molecular FormulaC25H25ClN2O5
Molecular Weight468.94 g/mol
Exact Mass468.15
IUPAC Name(4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCC(=O)N1CCCCC1
InChIInChI=1S/C25H25ClN2O5/c1-2-31-22-14-17(9-10-21(22)32-16-23(29)28-11-4-3-5-12-28)13-20-25(30)33-24(27-20)18-7-6-8-19(26)15-18/h6-10,13-15H,2-5,11-12,16H2,1H3/b20-13-
InChIKeyMAIFTFUSSXWYDQ-MOSHPQCFSA-N
XLogP4.47
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.94
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]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

ethyl 2-[4-[[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-2-methoxyphenoxy]acetate
CID 78414630
(4Z)-2-(3,4-dichlorophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 19672590
(4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 26497257
[2-chloro-4-[(Z)-[2-(3-chlorophenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]-6-ethoxyphenyl] acetate
CID 1049065
2-(4-chlorophenyl)-4-[(3-ethoxy-4-prop-2-enoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 4688991
4-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 2931106
(4Z)-4-[[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylidene]-2-(3-iodo-4-methylphenyl)-1,3-oxazol-5-one
CID 5293745
[2-ethoxy-4-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 4-chlorobenzoate
CID 2299585
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 2687411
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 1129606
(4Z)-2-(5-chloro-2-methoxyphenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 126009726
(3E)-6-chloro-3-[[3-ethoxy-4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-1H-indol-2-one
CID 21370138

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one (CID 26496634) is (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one is CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCC(=O)N1CCCCC1.
What is the InChIKey of (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is MAIFTFUSSXWYDQ-MOSHPQCFSA-N. The full InChI is InChI=1S/C25H25ClN2O5/c1-2-31-22-14-17(9-10-21(22)32-16-23(29)28-11-4-3-5-12-28)13-20-25(30)33-24(27-20)18-7-6-8-19(26)15-18/h6-10,13-15H,2-5,11-12,16H2,1H3/b20-13-.
What are the key properties of (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 468.94 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 26496634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).