(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate

C20H16FNO4 — CID 7967630

IUPAC(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(F)cc1)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H16FNO4/c21-16-8-6-14(7-9-16)17(23)10-11-20(24)25-13-19-22-12-18(26-19)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2
InChIKeyUNOQCTNHQVSRLL-UHFFFAOYSA-N
MW353.35 g/mol
LogP4.19
Rot. Bonds7

About (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate

(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate (PubChem CID 7967630) has the molecular formula C20H16FNO4 and a molecular weight of 353.35 g/mol. Its IUPAC name is (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate.

Molecular Properties

Compound Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
PubChem CID7967630
Molecular FormulaC20H16FNO4
Molecular Weight353.35 g/mol
Exact Mass353.11
IUPAC Name(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate
SMILESO=C(CCC(=O)c1ccc(F)cc1)OCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C20H16FNO4/c21-16-8-6-14(7-9-16)17(23)10-11-20(24)25-13-19-22-12-18(26-19)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2
InChIKeyUNOQCTNHQVSRLL-UHFFFAOYSA-N
XLogP4.19
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The IUPAC name of (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate (CID 7967630) is (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate.
What is the SMILES notation for (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The canonical SMILES for (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate is O=C(CCC(=O)c1ccc(F)cc1)OCc1ncc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
The InChIKey is UNOQCTNHQVSRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO4/c21-16-8-6-14(7-9-16)17(23)10-11-20(24)25-13-19-22-12-18(26-19)15-4-2-1-3-5-15/h1-9,12H,10-11,13H2.
What are the key properties of (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate?
(5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate has a molecular weight of 353.35 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3-oxazol-2-yl)methyl 4-(4-fluorophenyl)-4-oxobutanoate is sourced from PubChem (CID 7967630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).