1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone

C23H16FNO3 — CID 58302672

IUPAC1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Oc2cnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H16FNO3/c24-19-10-6-18(7-11-19)23-25-15-22(28-23)27-20-12-8-17(9-13-20)21(26)14-16-4-2-1-3-5-16/h1-13,15H,14H2
InChIKeyNZJPVEYGWSVJBG-UHFFFAOYSA-N
MW373.38 g/mol
LogP5.70
Rot. Bonds6

About 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone

1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone (PubChem CID 58302672) has the molecular formula C23H16FNO3 and a molecular weight of 373.38 g/mol. Its IUPAC name is 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone
PubChem CID58302672
Molecular FormulaC23H16FNO3
Molecular Weight373.38 g/mol
Exact Mass373.11
IUPAC Name1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1ccc(Oc2cnc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C23H16FNO3/c24-19-10-6-18(7-11-19)23-25-15-22(28-23)27-20-12-8-17(9-13-20)21(26)14-16-4-2-1-3-5-16/h1-13,15H,14H2
InChIKeyNZJPVEYGWSVJBG-UHFFFAOYSA-N
XLogP5.70
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.38
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone
CID 176657084
1-[4-(2,5-difluorophenoxy)phenyl]-2-phenylethanone
CID 58187299
5-(4-fluorophenyl)-3-[2-oxo-2-(4-phenoxyphenyl)ethyl]-1,3,4-oxadiazol-2-one
CID 38841795
1-[4-(4-acetylphenoxy)phenyl]-2-phenylethanone
CID 102402149
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
2-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetic acid
CID 6619507
2-(4-ethylphenyl)-1-(4-phenoxyphenyl)ethanone
CID 158282990
2-(4-bromophenyl)-1-(4-phenoxyphenyl)ethanone
CID 14256935
2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one
CID 171978215
1-(4-fluorophenoxy)-3-phenylpropan-2-one
CID 43799903
1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one
CID 115087344
1-[4-[3-(1H-imidazol-5-yl)propoxy]phenyl]-2-phenylethanone
CID 10567715

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone?
The IUPAC name of 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone (CID 58302672) is 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone.
What is the SMILES notation for 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone?
The canonical SMILES for 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone is O=C(Cc1ccccc1)c1ccc(Oc2cnc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone?
The InChIKey is NZJPVEYGWSVJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO3/c24-19-10-6-18(7-11-19)23-25-15-22(28-23)27-20-12-8-17(9-13-20)21(26)14-16-4-2-1-3-5-16/h1-13,15H,14H2.
What are the key properties of 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone?
1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone has a molecular weight of 373.38 g/mol, XLogP of 5.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone is sourced from PubChem (CID 58302672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).