ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate

C24H21NO5 — CID 19694380

IUPACethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2o1
InChIInChI=1S/C24H21NO5/c1-3-27-23(26)12-11-20-13-18-9-10-19(14-22(18)30-20)28-15-21-16(2)29-24(25-21)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b12-11+
InChIKeyFWGVKDGFDKRAGB-VAWYXSNFSA-N
MW403.43 g/mol
LogP5.55
Rot. Bonds7

About ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate

ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate (PubChem CID 19694380) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate
PubChem CID19694380
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Nameethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2o1
InChIInChI=1S/C24H21NO5/c1-3-27-23(26)12-11-20-13-18-9-10-19(14-22(18)30-20)28-15-21-16(2)29-24(25-21)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b12-11+
InChIKeyFWGVKDGFDKRAGB-VAWYXSNFSA-N
XLogP5.55
TPSA74.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.43
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate with MolForge

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Related Compounds

(E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-en-1-ol
CID 139705393
ethyl (2E,4E)-5-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]penta-2,4-dienoate
CID 86750133
ethyl (E)-3-[3,5-dimethyl-1-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methyl]pyrazol-4-yl]prop-2-enoate
CID 69423813
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl (E)-3-(4-methylphenyl)prop-2-enoate
CID 16588525
3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-benzofuran-1-yl]prop-2-enoic acid
CID 70283163
ethyl (E)-3-[2-acetyloxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]prop-2-enoate
CID 139706536
5-methyl-2-phenyl-4-[[2-(5-propyltetrazol-1-yl)-1-benzofuran-6-yl]oxymethyl]-1,3-oxazole
CID 67664064
ethyl 3-[5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-2-pyridinyl]propanoate
CID 141039508
ethyl (E)-3-[4-[2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]prop-2-enoate
CID 86751224
[3-ethoxy-5-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methanol
CID 69427333
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 3-thiophen-3-ylprop-2-enoate
CID 71899790
methyl 2-hydroxy-2-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]acetate
CID 15280381

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate (CID 19694380) is ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate is CCOC(=O)/C=C/c1cc2ccc(OCc3nc(-c4ccccc4)oc3C)cc2o1.
What is the InChIKey of ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate?
The InChIKey is FWGVKDGFDKRAGB-VAWYXSNFSA-N. The full InChI is InChI=1S/C24H21NO5/c1-3-27-23(26)12-11-20-13-18-9-10-19(14-22(18)30-20)28-15-21-16(2)29-24(25-21)17-7-5-4-6-8-17/h4-14H,3,15H2,1-2H3/b12-11+.
What are the key properties of ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate?
ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate has a molecular weight of 403.43 g/mol, XLogP of 5.55, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[6-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]-1-benzofuran-2-yl]prop-2-enoate is sourced from PubChem (CID 19694380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).