(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one

C25H24N2O7 — CID 30836632

IUPAC(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=N/C(=C\c3ccc(OCc4c(C)noc4C)c(OC)c3)C(=O)O2)c1
InChIInChI=1S/C25H24N2O7/c1-14-20(15(2)34-27-14)13-32-22-7-6-16(9-23(22)31-5)8-21-25(28)33-24(26-21)17-10-18(29-3)12-19(11-17)30-4/h6-12H,13H2,1-5H3/b21-8-
InChIKeyYLWVVVJUKJYYLM-WNFQYIGGSA-N
MW464.47 g/mol
LogP4.24
Rot. Bonds8

About (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one

(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one (PubChem CID 30836632) has the molecular formula C25H24N2O7 and a molecular weight of 464.47 g/mol. Its IUPAC name is (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
PubChem CID30836632
Molecular FormulaC25H24N2O7
Molecular Weight464.47 g/mol
Exact Mass464.16
IUPAC Name(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one
SMILESCOc1cc(OC)cc(C2=N/C(=C\c3ccc(OCc4c(C)noc4C)c(OC)c3)C(=O)O2)c1
InChIInChI=1S/C25H24N2O7/c1-14-20(15(2)34-27-14)13-32-22-7-6-16(9-23(22)31-5)8-21-25(28)33-24(26-21)17-10-18(29-3)12-19(11-17)30-4/h6-12H,13H2,1-5H3/b21-8-
InChIKeyYLWVVVJUKJYYLM-WNFQYIGGSA-N
XLogP4.24
TPSA101.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.47
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one with MolForge

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Related Compounds

(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-methoxy-3-(2-methylpropoxy)phenyl]methylidene]-1,3-oxazol-5-one
CID 9313411
(4E)-4-[(4-ethoxy-3-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 2687411
(4Z)-4-[[3-methoxy-4-[(3-methylphenyl)methoxy]phenyl]methylidene]-2-(3-methylphenyl)-1,3-oxazol-5-one
CID 126032888
2-[2-methoxy-4-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetonitrile
CID 9313281
(4Z)-2-(3,5-dimethoxyphenyl)-4-[(3,5-dimethoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 7963822
(4E)-2-(4-methoxyphenyl)-4-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-oxazol-5-one
CID 6491479
(4Z)-2-(3,4-dichlorophenyl)-4-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-1,3-oxazol-5-one
CID 19672698
2-[2-methoxy-4-[(Z)-[2-(3-methoxyphenyl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenoxy]acetamide
CID 9313304
(4E)-4-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 56698406
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(3-methoxyphenyl)-1,3-oxazol-5-one
CID 1129606
(4Z)-4-[[3-methoxy-4-(2-methylprop-2-enoxy)phenyl]methylidene]-2-(4-methoxyphenyl)-1,3-oxazol-5-one
CID 979146
(4Z)-4-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylidene]-2-(4-propan-2-ylphenyl)-1,3-oxazol-5-one
CID 19668414

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The IUPAC name of (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) is (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one is COc1cc(OC)cc(C2=N/C(=C\c3ccc(OCc4c(C)noc4C)c(OC)c3)C(=O)O2)c1.
What is the InChIKey of (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
The InChIKey is YLWVVVJUKJYYLM-WNFQYIGGSA-N. The full InChI is InChI=1S/C25H24N2O7/c1-14-20(15(2)34-27-14)13-32-22-7-6-16(9-23(22)31-5)8-21-25(28)33-24(26-21)17-10-18(29-3)12-19(11-17)30-4/h6-12H,13H2,1-5H3/b21-8-.
What are the key properties of (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one?
(4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one has a molecular weight of 464.47 g/mol, XLogP of 4.24, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3,5-dimethoxyphenyl)-4-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylidene]-1,3-oxazol-5-one is sourced from PubChem (CID 30836632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).