(4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

C26H23NO4 — CID 2266935

IUPAC(4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1ccc(OCCOc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c(C)c1
InChIInChI=1S/C26H23NO4/c1-18-8-13-24(19(2)16-18)30-15-14-29-22-11-9-20(10-12-22)17-23-26(28)31-25(27-23)21-6-4-3-5-7-21/h3-13,16-17H,14-15H2,1-2H3/b23-17-
InChIKeyPIKPCYKIIGLGRP-QJOMJCCJSA-N
MW413.47 g/mol
LogP5.11
Rot. Bonds7

About (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one

(4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (PubChem CID 2266935) has the molecular formula C26H23NO4 and a molecular weight of 413.47 g/mol. Its IUPAC name is (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
PubChem CID2266935
Molecular FormulaC26H23NO4
Molecular Weight413.47 g/mol
Exact Mass413.16
IUPAC Name(4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
SMILESCc1ccc(OCCOc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c(C)c1
InChIInChI=1S/C26H23NO4/c1-18-8-13-24(19(2)16-18)30-15-14-29-22-11-9-20(10-12-22)17-23-26(28)31-25(27-23)21-6-4-3-5-7-21/h3-13,16-17H,14-15H2,1-2H3/b23-17-
InChIKeyPIKPCYKIIGLGRP-QJOMJCCJSA-N
XLogP5.11
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.47
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[5-methyl-2-[3-(4-methylphenoxy)propoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2930060
4-[(4-butoxyphenyl)methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3093027
(4Z)-4-[[4-[2-(3-methoxyphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2288862
4-[[3-methoxy-4-[2-(2-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2899712
4-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3518799
(4E)-4-[[4-[2-[2-[(2R)-butan-2-yl]phenoxy]ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2266799
(4E)-4-[[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6084787
(4E)-4-[(4-ethoxyphenyl)methylidene]-2-(4-methylphenyl)-1,3-oxazol-5-one
CID 740848
4-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2911184
4-benzylidene-2-(4-butoxyphenyl)-1,3-oxazol-5-one
CID 3102655
(4Z)-4-[[4-[2-(3-ethyl-5-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2292068
4-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5027561

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The IUPAC name of (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one (CID 2266935) is (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one.
What is the SMILES notation for (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The canonical SMILES for (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is Cc1ccc(OCCOc2ccc(/C=C3\N=C(c4ccccc4)OC3=O)cc2)c(C)c1.
What is the InChIKey of (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
The InChIKey is PIKPCYKIIGLGRP-QJOMJCCJSA-N. The full InChI is InChI=1S/C26H23NO4/c1-18-8-13-24(19(2)16-18)30-15-14-29-22-11-9-20(10-12-22)17-23-26(28)31-25(27-23)21-6-4-3-5-7-21/h3-13,16-17H,14-15H2,1-2H3/b23-17-.
What are the key properties of (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one?
(4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one has a molecular weight of 413.47 g/mol, XLogP of 5.11, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one is sourced from PubChem (CID 2266935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).