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

C17H12FNO2 — CID 176657084

IUPAC1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H12FNO2/c18-14-8-6-13(7-9-14)17-19-11-16(21-17)15(20)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyDRYOVRPVSIZSTR-UHFFFAOYSA-N
MW281.29 g/mol
LogP3.91
Rot. Bonds4

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

1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone (PubChem CID 176657084) has the molecular formula C17H12FNO2 and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone.

Molecular Properties

Compound Name1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone
PubChem CID176657084
Molecular FormulaC17H12FNO2
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)c1cnc(-c2ccc(F)cc2)o1
InChIInChI=1S/C17H12FNO2/c18-14-8-6-13(7-9-14)17-19-11-16(21-17)15(20)10-12-4-2-1-3-5-12/h1-9,11H,10H2
InChIKeyDRYOVRPVSIZSTR-UHFFFAOYSA-N
XLogP3.91
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[2-(4-fluorophenyl)-1,3-oxazol-5-yl]oxy]phenyl]-2-phenylethanone
CID 58302672
2-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]acetic acid
CID 6619507
1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]propan-2-one
CID 115087344
2-(4-fluorophenyl)-5-(2-phenylmethoxyphenyl)-1,3-oxazin-6-one
CID 171978215
2-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethanone
CID 2461697
2-[4-(4-fluorobenzoyl)phenyl]-1-phenylethanone
CID 102580971
1-(5-methylfuran-2-yl)-2-phenylethanone
CID 4610358
2-(4-fluorophenyl)-N-[4-(4-phenyl-1,3-oxazol-2-yl)phenyl]acetamide
CID 50835518
N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681416
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110681421
2-phenyl-N-(2,3,4-trifluorophenyl)-1,3-oxazole-5-carboxamide
CID 110681510
N'-[2-(4-fluorophenyl)acetyl]-4-oxo-4-(4-phenylphenyl)butanehydrazide
CID 9161711

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone?
The IUPAC name of 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone (CID 176657084) is 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone.
What is the SMILES notation for 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone?
The canonical SMILES for 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone is O=C(Cc1ccccc1)c1cnc(-c2ccc(F)cc2)o1.
What is the InChIKey of 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone?
The InChIKey is DRYOVRPVSIZSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2/c18-14-8-6-13(7-9-14)17-19-11-16(21-17)15(20)10-12-4-2-1-3-5-12/h1-9,11H,10H2.
What are the key properties of 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone?
1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone has a molecular weight of 281.29 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenyl)-1,3-oxazol-5-yl]-2-phenylethanone is sourced from PubChem (CID 176657084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).