(E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol

C24H23NO3 — CID 67620240

IUPAC(E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol
SMILESCCc1oc(-c2ccccc2)nc1Cc1cc2cc(/C(C)=C/CO)ccc2o1
InChIInChI=1S/C24H23NO3/c1-3-22-21(25-24(28-22)17-7-5-4-6-8-17)15-20-14-19-13-18(16(2)11-12-26)9-10-23(19)27-20/h4-11,13-14,26H,3,12,15H2,1-2H3/b16-11+
InChIKeyRMFFUOYSLZERGX-LFIBNONCSA-N
MW373.45 g/mol
LogP5.64
Rot. Bonds6

About (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol

(E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol (PubChem CID 67620240) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol
PubChem CID67620240
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name(E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol
SMILESCCc1oc(-c2ccccc2)nc1Cc1cc2cc(/C(C)=C/CO)ccc2o1
InChIInChI=1S/C24H23NO3/c1-3-22-21(25-24(28-22)17-7-5-4-6-8-17)15-20-14-19-13-18(16(2)11-12-26)9-10-23(19)27-20/h4-11,13-14,26H,3,12,15H2,1-2H3/b16-11+
InChIKeyRMFFUOYSLZERGX-LFIBNONCSA-N
XLogP5.64
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

ethyl (Z)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-enoate
CID 67619983
[(E)-4-(carbamoylamino)-2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-enyl] methyl carbonate
CID 67635245
ethyl 2-bromo-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoate
CID 10671958
5-[(2E)-penta-2,4-dien-2-yl]-2-phenyl-1,3-benzoxazole
CID 163667445
ethyl 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-methylsulfanylpropanoate
CID 10550862
4-[[5-[2,2-bis(prop-2-enoxy)ethyl]-1-benzofuran-2-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 10836339
2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid
CID 10836630
2-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-carbaldehyde
CID 10758885
2-[5-ethyl-2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanol
CID 18376373
[2-(4-chlorophenyl)-5-ethyl-1,3-oxazol-4-yl]methanol
CID 122476666
[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate
CID 57207829
2-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]-1-benzofuran-5-carbaldehyde
CID 10667776

Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol?
The IUPAC name of (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol (CID 67620240) is (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol.
What is the SMILES notation for (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol?
The canonical SMILES for (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol is CCc1oc(-c2ccccc2)nc1Cc1cc2cc(/C(C)=C/CO)ccc2o1.
What is the InChIKey of (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol?
The InChIKey is RMFFUOYSLZERGX-LFIBNONCSA-N. The full InChI is InChI=1S/C24H23NO3/c1-3-22-21(25-24(28-22)17-7-5-4-6-8-17)15-20-14-19-13-18(16(2)11-12-26)9-10-23(19)27-20/h4-11,13-14,26H,3,12,15H2,1-2H3/b16-11+.
What are the key properties of (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol?
(E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol has a molecular weight of 373.45 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-[(5-ethyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-en-1-ol is sourced from PubChem (CID 67620240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).