[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate

C19H11F2NO4 — CID 30608473

IUPAC[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate
SMILESO=C(OCc1cc(-c2cc3ccccc3o2)on1)c1c(F)cccc1F
InChIInChI=1S/C19H11F2NO4/c20-13-5-3-6-14(21)18(13)19(23)24-10-12-9-17(26-22-12)16-8-11-4-1-2-7-15(11)25-16/h1-9H,10H2
InChIKeyABVLKFCTJNABDC-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.72
Rot. Bonds4

About [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate

[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate (PubChem CID 30608473) has the molecular formula C19H11F2NO4 and a molecular weight of 355.30 g/mol. Its IUPAC name is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate.

Molecular Properties

Compound Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate
PubChem CID30608473
Molecular FormulaC19H11F2NO4
Molecular Weight355.30 g/mol
Exact Mass355.07
IUPAC Name[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate
SMILESO=C(OCc1cc(-c2cc3ccccc3o2)on1)c1c(F)cccc1F
InChIInChI=1S/C19H11F2NO4/c20-13-5-3-6-14(21)18(13)19(23)24-10-12-9-17(26-22-12)16-8-11-4-1-2-7-15(11)25-16/h1-9H,10H2
InChIKeyABVLKFCTJNABDC-UHFFFAOYSA-N
XLogP4.72
TPSA65.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate?
The IUPAC name of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate (CID 30608473) is [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate.
What is the SMILES notation for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate?
The canonical SMILES for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate is O=C(OCc1cc(-c2cc3ccccc3o2)on1)c1c(F)cccc1F.
What is the InChIKey of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate?
The InChIKey is ABVLKFCTJNABDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F2NO4/c20-13-5-3-6-14(21)18(13)19(23)24-10-12-9-17(26-22-12)16-8-11-4-1-2-7-15(11)25-16/h1-9H,10H2.
What are the key properties of [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate?
[5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate has a molecular weight of 355.30 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzofuran-2-yl)-1,2-oxazol-3-yl]methyl 2,6-difluorobenzoate is sourced from PubChem (CID 30608473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).