1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone

C18H16FNO2 — CID 141014350

IUPAC1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)C1=NOC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H16FNO2/c19-16-8-6-14(7-9-16)11-17(21)18-15(12-22-20-18)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2/t15-/m1/s1
InChIKeyAQKOYDMCBMNYPQ-OAHLLOKOSA-N
MW297.33 g/mol
LogP3.18
Rot. Bonds5

About 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone

1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone (PubChem CID 141014350) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone
PubChem CID141014350
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone
SMILESO=C(Cc1ccc(F)cc1)C1=NOC[C@H]1Cc1ccccc1
InChIInChI=1S/C18H16FNO2/c19-16-8-6-14(7-9-16)11-17(21)18-15(12-22-20-18)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2/t15-/m1/s1
InChIKeyAQKOYDMCBMNYPQ-OAHLLOKOSA-N
XLogP3.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone?
The IUPAC name of 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone (CID 141014350) is 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone.
What is the SMILES notation for 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone?
The canonical SMILES for 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone is O=C(Cc1ccc(F)cc1)C1=NOC[C@H]1Cc1ccccc1.
What is the InChIKey of 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone?
The InChIKey is AQKOYDMCBMNYPQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H16FNO2/c19-16-8-6-14(7-9-16)11-17(21)18-15(12-22-20-18)10-13-4-2-1-3-5-13/h1-9,15H,10-12H2/t15-/m1/s1.
What are the key properties of 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone?
1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone has a molecular weight of 297.33 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-benzyl-4,5-dihydro-1,2-oxazol-3-yl]-2-(4-fluorophenyl)ethanone is sourced from PubChem (CID 141014350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).