1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone

C18H16FNO2 — CID 58631144

IUPAC1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1
InChIInChI=1S/C18H16FNO2/c1-12(21)13-7-9-14(10-8-13)17-16(11-19)20-18(22-17)15-5-3-2-4-6-15/h2-10,16-17H,11H2,1H3/t16-,17-/m1/s1
InChIKeyLFRXDLCZYSOILU-IAGOWNOFSA-N
MW297.33 g/mol
LogP3.75
Rot. Bonds4

About 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone

1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone (PubChem CID 58631144) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone
PubChem CID58631144
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone
SMILESCC(=O)c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1
InChIInChI=1S/C18H16FNO2/c1-12(21)13-7-9-14(10-8-13)17-16(11-19)20-18(22-17)15-5-3-2-4-6-15/h2-10,16-17H,11H2,1H3/t16-,17-/m1/s1
InChIKeyLFRXDLCZYSOILU-IAGOWNOFSA-N
XLogP3.75
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone with MolForge

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Related Compounds

(3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl)(phenyl)methanone
CID 382481
(4S)-4-benzyl-2-[4-(2,2-dimethylpropanoyl)phenyl]-4H-1,3-oxazol-5-one
CID 10688212
1-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]-2,2-dimethylpropan-1-one
CID 10799530
[(2R,3S)-2-[(4S,5R)-2-benzoyl-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl]-6-oxo-2,3-dihydropyran-3-yl] acetate
CID 56670185
Methyl 4-[5-(2,2,2-trifluoroethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzoate
CID 134960292
methyl 4-[(4S,5R)-2-methyl-4-(trifluoromethyl)-4,5-dihydro-1,3-oxazol-5-yl]benzoate
CID 134966815
4-[5-(Fluoromethyl)-4,5-dihydro-1,3-oxazol-2-yl]benzaldehyde
CID 154715179
4-(4-fluorobenzyl)-2-(p-tolyl)oxazol-5(4H)-one
CID 155908098
(4S,5S)-4-butyl-2-phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 162417403
3-Methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
CID 2806512
(2-Amino-5-phenyl-4,5-dihydro-1,3-oxazol-4-yl)(4-methylphenyl)methanone
CID 6456490
Methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
CID 25138489

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone?
The IUPAC name of 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone (CID 58631144) is 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone?
The canonical SMILES for 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone is CC(=O)c1ccc([C@H]2OC(c3ccccc3)=N[C@@H]2CF)cc1.
What is the InChIKey of 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone?
The InChIKey is LFRXDLCZYSOILU-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-12(21)13-7-9-14(10-8-13)17-16(11-19)20-18(22-17)15-5-3-2-4-6-15/h2-10,16-17H,11H2,1H3/t16-,17-/m1/s1.
What are the key properties of 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone?
1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone has a molecular weight of 297.33 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4S,5R)-4-(fluoromethyl)-2-phenyl-4,5-dihydro-1,3-oxazol-5-yl]phenyl]ethanone is sourced from PubChem (CID 58631144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).