1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one

C20H19FN2O2 — CID 68723925

IUPAC1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NCc2cc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C20H19FN2O2/c1-2-5-20(24)14-8-10-15(11-9-14)22-13-16-12-19(23-25-16)17-6-3-4-7-18(17)21/h3-4,6-12,22H,2,5,13H2,1H3
InChIKeyYVKBTUZFJOLKJR-UHFFFAOYSA-N
MW338.38 g/mol
LogP5.08
Rot. Bonds7

About 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one

1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one (PubChem CID 68723925) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one.

Molecular Properties

Compound Name1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one
PubChem CID68723925
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one
SMILESCCCC(=O)c1ccc(NCc2cc(-c3ccccc3F)no2)cc1
InChIInChI=1S/C20H19FN2O2/c1-2-5-20(24)14-8-10-15(11-9-14)22-13-16-12-19(23-25-16)17-6-3-4-7-18(17)21/h3-4,6-12,22H,2,5,13H2,1H3
InChIKeyYVKBTUZFJOLKJR-UHFFFAOYSA-N
XLogP5.08
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.38
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one?
The IUPAC name of 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one (CID 68723925) is 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one.
What is the SMILES notation for 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one?
The canonical SMILES for 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one is CCCC(=O)c1ccc(NCc2cc(-c3ccccc3F)no2)cc1.
What is the InChIKey of 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one?
The InChIKey is YVKBTUZFJOLKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-2-5-20(24)14-8-10-15(11-9-14)22-13-16-12-19(23-25-16)17-6-3-4-7-18(17)21/h3-4,6-12,22H,2,5,13H2,1H3.
What are the key properties of 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one?
1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one has a molecular weight of 338.38 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-(2-fluorophenyl)-1,2-oxazol-5-yl]methylamino]phenyl]butan-1-one is sourced from PubChem (CID 68723925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).