4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

C24H20ClNO5 — CID 2934205

IUPAC4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCc1ccc(OCCOc2ccc(Cl)c(C)c2)c(C=C2N=C(c3ccco3)OC2=O)c1
InChIInChI=1S/C24H20ClNO5/c1-15-5-8-21(30-11-10-28-18-6-7-19(25)16(2)13-18)17(12-15)14-20-24(27)31-23(26-20)22-4-3-9-29-22/h3-9,12-14H,10-11H2,1-2H3
InChIKeyIRRLVGSDQZCTRT-UHFFFAOYSA-N
MW437.88 g/mol
LogP5.35
Rot. Bonds7

About 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one

4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (PubChem CID 2934205) has the molecular formula C24H20ClNO5 and a molecular weight of 437.88 g/mol. Its IUPAC name is 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.

Molecular Properties

Compound Name4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
PubChem CID2934205
Molecular FormulaC24H20ClNO5
Molecular Weight437.88 g/mol
Exact Mass437.10
IUPAC Name4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
SMILESCc1ccc(OCCOc2ccc(Cl)c(C)c2)c(C=C2N=C(c3ccco3)OC2=O)c1
InChIInChI=1S/C24H20ClNO5/c1-15-5-8-21(30-11-10-28-18-6-7-19(25)16(2)13-18)17(12-15)14-20-24(27)31-23(26-20)22-4-3-9-29-22/h3-9,12-14H,10-11H2,1-2H3
InChIKeyIRRLVGSDQZCTRT-UHFFFAOYSA-N
XLogP5.35
TPSA70.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.88
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-ethoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2911184
4-[[4-[2-(4-chloro-3-methylphenoxy)ethoxy]-3-methoxyphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 3518799
4-[[5-methyl-2-[3-(4-methylphenoxy)propoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2930060
4-[[3-[2-(4-chloro-3-methylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 5027561
2-(2-fluorophenyl)-4-[[2-[2-(3-methoxyphenoxy)ethoxy]-5-methylphenyl]methylidene]-1,3-oxazol-5-one
CID 2934721
(4Z)-4-[(2,4-dichlorophenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 5411455
(4Z)-4-[(6-chloro-1,3-benzodioxol-5-yl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663158
(4E)-4-[[2-[2-(2-methoxy-4-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 6084787
(4Z)-4-[[4-[2-(2,4-dimethylphenoxy)ethoxy]phenyl]methylidene]-2-phenyl-1,3-oxazol-5-one
CID 2266935
(4Z)-4-[(3-ethoxy-4-methoxyphenyl)methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one
CID 19663191
[4-[(Z)-[2-(furan-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] 3-methylbenzoate
CID 19663571
[2-ethoxy-4-[[2-(furan-2-yl)-5-oxo-1,3-oxazol-4-ylidene]methyl]phenyl] acetate
CID 4913334

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The IUPAC name of 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one (CID 2934205) is 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one.
What is the SMILES notation for 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The canonical SMILES for 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is Cc1ccc(OCCOc2ccc(Cl)c(C)c2)c(C=C2N=C(c3ccco3)OC2=O)c1.
What is the InChIKey of 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
The InChIKey is IRRLVGSDQZCTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO5/c1-15-5-8-21(30-11-10-28-18-6-7-19(25)16(2)13-18)17(12-15)14-20-24(27)31-23(26-20)22-4-3-9-29-22/h3-9,12-14H,10-11H2,1-2H3.
What are the key properties of 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one?
4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one has a molecular weight of 437.88 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[2-(4-chloro-3-methylphenoxy)ethoxy]-5-methylphenyl]methylidene]-2-(furan-2-yl)-1,3-oxazol-5-one is sourced from PubChem (CID 2934205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).