ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate

C24H25NO4 — CID 86751224

IUPACethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OCCc2nc(-c3cccc(C)c3)oc2C)cc1
InChIInChI=1S/C24H25NO4/c1-4-27-23(26)13-10-19-8-11-21(12-9-19)28-15-14-22-18(3)29-24(25-22)20-7-5-6-17(2)16-20/h5-13,16H,4,14-15H2,1-3H3/b13-10+
InChIKeyUNYRZDMRUCSOCS-JLHYYAGUSA-N
MW391.47 g/mol
LogP5.16
Rot. Bonds8

About ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate

ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate (PubChem CID 86751224) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate
PubChem CID86751224
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Nameethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OCCc2nc(-c3cccc(C)c3)oc2C)cc1
InChIInChI=1S/C24H25NO4/c1-4-27-23(26)13-10-19-8-11-21(12-9-19)28-15-14-22-18(3)29-24(25-22)20-7-5-6-17(2)16-20/h5-13,16H,4,14-15H2,1-3H3/b13-10+
InChIKeyUNYRZDMRUCSOCS-JLHYYAGUSA-N
XLogP5.16
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.47
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enal
CID 54477659
methyl 3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enoate
CID 54227540
ethyl (E)-3-[2-acetyloxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enoate
CID 139706536
ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate
CID 86750133
ethyl 3-[4-[(3-methylphenyl)methoxy]phenyl]prop-2-enoate
CID 131847797
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
ethyl 2-[4-[2-[2-(3-ethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenoxy]-2-methylpropanoate
CID 23589999
ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958
3-ethoxy-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-3-oxopropanoic acid
CID 10788402
(Z)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]-2-methylsulfanylprop-2-enoic acid
CID 15230617
1-[[4-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-hydroxyurea
CID 10738851
ethyl 2-methyl-2-[2-[(3-methylphenoxy)methyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 69232281

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate (CID 86751224) is ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(OCCc2nc(-c3cccc(C)c3)oc2C)cc1.
What is the InChIKey of ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate?
The InChIKey is UNYRZDMRUCSOCS-JLHYYAGUSA-N. The full InChI is InChI=1S/C24H25NO4/c1-4-27-23(26)13-10-19-8-11-21(12-9-19)28-15-14-22-18(3)29-24(25-22)20-7-5-6-17(2)16-20/h5-13,16H,4,14-15H2,1-3H3/b13-10+.
What are the key properties of ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate?
ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate has a molecular weight of 391.47 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 86751224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).