(4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one

C25H26N2O7 — CID 26497257

IUPAC(4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccc(C2=N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)C(=O)O2)cc1
InChIInChI=1S/C25H26N2O7/c1-3-32-19-7-5-18(6-8-19)24-26-20(25(29)34-24)14-17-4-9-21(22(15-17)30-2)33-16-23(28)27-10-12-31-13-11-27/h4-9,14-15H,3,10-13,16H2,1-2H3/b20-14-
InChIKeyMTUNNLVMYCLBTF-ZHZULCJRSA-N
MW466.49 g/mol
LogP2.68
Rot. Bonds8

About (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 26497257) has the molecular formula C25H26N2O7 and a molecular weight of 466.49 g/mol. Its IUPAC name is (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID26497257
Molecular FormulaC25H26N2O7
Molecular Weight466.49 g/mol
Exact Mass466.17
IUPAC Name(4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCCOc1ccc(C2=N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)C(=O)O2)cc1
InChIInChI=1S/C25H26N2O7/c1-3-32-19-7-5-18(6-8-19)24-26-20(25(29)34-24)14-17-4-9-21(22(15-17)30-2)33-16-23(28)27-10-12-31-13-11-27/h4-9,14-15H,3,10-13,16H2,1-2H3/b20-14-
InChIKeyMTUNNLVMYCLBTF-ZHZULCJRSA-N
XLogP2.68
TPSA95.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.49
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

(4E)-2-(4-ethoxyphenyl)-4-[(4-hexoxy-3-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 2436579
4-[[4-(difluoromethoxy)-3-methoxyphenyl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 3424630
(4Z)-2-(4-ethoxyphenyl)-4-[(3-fluoro-4-methoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 9052250
(4Z)-4-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 979146
(4E)-2-(4-ethoxyphenyl)-4-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 75460195
4-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 3488822
(4Z)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(4-fluorophenyl)-1,3-oxazol-5-one
CID 920418
[2-ethoxy-4-[(Z)-[2-(4-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 26475097
(4E)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-ethoxyphenyl)-1,3-oxazol-5-one
CID 2491085
(4Z)-2-(4-ethoxyphenyl)-4-[[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 126015810
(4Z)-2-(3-chlorophenyl)-4-[[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 26496634
(4Z)-2-(4-hexoxyphenyl)-4-[(3-methoxy-4-octoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 170458914

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one (CID 26497257) is (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one is CCOc1ccc(C2=N/C(=C\c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)C(=O)O2)cc1.
What is the InChIKey of (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is MTUNNLVMYCLBTF-ZHZULCJRSA-N. The full InChI is InChI=1S/C25H26N2O7/c1-3-32-19-7-5-18(6-8-19)24-26-20(25(29)34-24)14-17-4-9-21(22(15-17)30-2)33-16-23(28)27-10-12-31-13-11-27/h4-9,14-15H,3,10-13,16H2,1-2H3/b20-14-.
What are the key properties of (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 466.49 g/mol, XLogP of 2.68, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(4-ethoxyphenyl)-4-[[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 26497257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).