(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one

C23H25NO6 — CID 9313411

IUPAC(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=N/C(=C\c3ccc(OC)c(OCC(C)C)c3)C(=O)O2)c1
InChIInChI=1S/C23H25NO6/c1-14(2)13-29-21-9-15(6-7-20(21)28-5)8-19-23(25)30-22(24-19)16-10-17(26-3)12-18(11-16)27-4/h6-12,14H,13H2,1-5H3/b19-8-
InChIKeyJYXPQVRVVPYCRD-UWVJOHFNSA-N
MW411.45 g/mol
LogP4.09
Rot. Bonds8

About (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 9313411) has the molecular formula C23H25NO6 and a molecular weight of 411.45 g/mol. Its IUPAC name is (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one
PubChem CID9313411
Molecular FormulaC23H25NO6
Molecular Weight411.45 g/mol
Exact Mass411.17
IUPAC Name(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=N/C(=C\c3ccc(OC)c(OCC(C)C)c3)C(=O)O2)c1
InChIInChI=1S/C23H25NO6/c1-14(2)13-29-21-9-15(6-7-20(21)28-5)8-19-23(25)30-22(24-19)16-10-17(26-3)12-18(11-16)27-4/h6-12,14H,13H2,1-5H3/b19-8-
InChIKeyJYXPQVRVVPYCRD-UWVJOHFNSA-N
XLogP4.09
TPSA75.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.45
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-2-(3-fluorophenyl)-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 9313078
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 1129606
(4Z)-4-[(3-butoxy-4-methoxyphenyl)methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 9312672
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 7963822
(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
CID 30836632
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 2687411
2-(4-methoxyphenyl)-4-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]-1,3-oxazol-5-one
CID 71903794
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(4-fluorophenyl)methylidene]-1,3-oxazol-5-one
CID 9313429
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663191
(4Z)-4-[[3-methoxy-4-(2-methylpropoxy)phenyl]methylidene]-2-(2-methyl-3-nitrophenyl)-1,3-oxazol-5-one
CID 19667158
2-[2-methoxy-4-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
CID 9313304
[2-ethoxy-4-[[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 2-methylpropanoate
CID 78414625

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one (CID 9313411) is (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one is COc1cc(OC)cc(C2=N/C(=C\c3ccc(OC)c(OCC(C)C)c3)C(=O)O2)c1.
What is the InChIKey of (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is JYXPQVRVVPYCRD-UWVJOHFNSA-N. The full InChI is InChI=1S/C23H25NO6/c1-14(2)13-29-21-9-15(6-7-20(21)28-5)8-19-23(25)30-22(24-19)16-10-17(26-3)12-18(11-16)27-4/h6-12,14H,13H2,1-5H3/b19-8-.
What are the key properties of (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 411.45 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 9313411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).