(5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate

C17H11F2NO3 — CID 9203306

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
SMILESO=C(OCc1cc(-c2ccccc2)on1)c1c(F)cccc1F
InChIInChI=1S/C17H11F2NO3/c18-13-7-4-8-14(19)16(13)17(21)22-10-12-9-15(23-20-12)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyRZSRVJQBZWMTQH-UHFFFAOYSA-N
MW315.28 g/mol
LogP3.98
Rot. Bonds4

About (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate

(5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate (PubChem CID 9203306) has the molecular formula C17H11F2NO3 and a molecular weight of 315.28 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
PubChem CID9203306
Molecular FormulaC17H11F2NO3
Molecular Weight315.28 g/mol
Exact Mass315.07
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate
SMILESO=C(OCc1cc(-c2ccccc2)on1)c1c(F)cccc1F
InChIInChI=1S/C17H11F2NO3/c18-13-7-4-8-14(19)16(13)17(21)22-10-12-9-15(23-20-12)11-5-2-1-3-6-11/h1-9H,10H2
InChIKeyRZSRVJQBZWMTQH-UHFFFAOYSA-N
XLogP3.98
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.28
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate (CID 9203306) is (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate is O=C(OCc1cc(-c2ccccc2)on1)c1c(F)cccc1F.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
The InChIKey is RZSRVJQBZWMTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F2NO3/c18-13-7-4-8-14(19)16(13)17(21)22-10-12-9-15(23-20-12)11-5-2-1-3-6-11/h1-9H,10H2.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate has a molecular weight of 315.28 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,2-oxazol-3-yl)methyl 2,6-difluorobenzoate is sourced from PubChem (CID 9203306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).