[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate

C24H16FNO4 — CID 166357080

IUPAC[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate
SMILESO=C(Cc1cc2c(ccc3ccccc32)o1)OCc1coc(-c2ccccc2F)n1
InChIInChI=1S/C24H16FNO4/c25-21-8-4-3-7-19(21)24-26-16(14-29-24)13-28-23(27)12-17-11-20-18-6-2-1-5-15(18)9-10-22(20)30-17/h1-11,14H,12-13H2
InChIKeyKKNLBKSRKJFKLP-UHFFFAOYSA-N
MW401.39 g/mol
LogP5.67
Rot. Bonds5

About [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate

[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate (PubChem CID 166357080) has the molecular formula C24H16FNO4 and a molecular weight of 401.39 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate
PubChem CID166357080
Molecular FormulaC24H16FNO4
Molecular Weight401.39 g/mol
Exact Mass401.11
IUPAC Name[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate
SMILESO=C(Cc1cc2c(ccc3ccccc32)o1)OCc1coc(-c2ccccc2F)n1
InChIInChI=1S/C24H16FNO4/c25-21-8-4-3-7-19(21)24-26-16(14-29-24)13-28-23(27)12-17-11-20-18-6-2-1-5-15(18)9-10-22(20)30-17/h1-11,14H,12-13H2
InChIKeyKKNLBKSRKJFKLP-UHFFFAOYSA-N
XLogP5.67
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.39
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The IUPAC name of [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate (CID 166357080) is [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate.
What is the SMILES notation for [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The canonical SMILES for [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate is O=C(Cc1cc2c(ccc3ccccc32)o1)OCc1coc(-c2ccccc2F)n1.
What is the InChIKey of [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate?
The InChIKey is KKNLBKSRKJFKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO4/c25-21-8-4-3-7-19(21)24-26-16(14-29-24)13-28-23(27)12-17-11-20-18-6-2-1-5-15(18)9-10-22(20)30-17/h1-11,14H,12-13H2.
What are the key properties of [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate?
[2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate has a molecular weight of 401.39 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-1,3-oxazol-4-yl]methyl 2-benzo[e][1]benzofuran-2-ylacetate is sourced from PubChem (CID 166357080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).