(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate

C18H14FNO3 — CID 8642714

IUPAC(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate
SMILESO=C(Cc1cccc(F)c1)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H14FNO3/c19-15-8-4-5-13(9-15)10-18(21)22-12-16-11-17(23-20-16)14-6-2-1-3-7-14/h1-9,11H,10,12H2
InChIKeyOIBPFYLXOMDNPS-UHFFFAOYSA-N
MW311.31 g/mol
LogP3.77
Rot. Bonds5

About (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate

(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate (PubChem CID 8642714) has the molecular formula C18H14FNO3 and a molecular weight of 311.31 g/mol. Its IUPAC name is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate
PubChem CID8642714
Molecular FormulaC18H14FNO3
Molecular Weight311.31 g/mol
Exact Mass311.10
IUPAC Name(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate
SMILESO=C(Cc1cccc(F)c1)OCc1cc(-c2ccccc2)on1
InChIInChI=1S/C18H14FNO3/c19-15-8-4-5-13(9-15)10-18(21)22-12-16-11-17(23-20-16)14-6-2-1-3-7-14/h1-9,11H,10,12H2
InChIKeyOIBPFYLXOMDNPS-UHFFFAOYSA-N
XLogP3.77
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 53.77
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-(3-fluorophenyl)acetate?
The IUPAC name of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate (CID 8642714) is (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate.
What is the SMILES notation for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate?
The canonical SMILES for (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate is O=C(Cc1cccc(F)c1)OCc1cc(-c2ccccc2)on1.
What is the InChIKey of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate?
The InChIKey is OIBPFYLXOMDNPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO3/c19-15-8-4-5-13(9-15)10-18(21)22-12-16-11-17(23-20-16)14-6-2-1-3-7-14/h1-9,11H,10,12H2.
What are the key properties of (5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate?
(5-phenyl-1,2-oxazol-3-yl)methyl 2-(3-fluorophenyl)acetate has a molecular weight of 311.31 g/mol, XLogP of 3.77, 5 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-(3-fluorophenyl)acetate is sourced from PubChem (CID 8642714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).