(2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one

C16H12FNO2 — CID 139187282

IUPAC(2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one
SMILESO=C1O[C@](CF)(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C16H12FNO2/c17-11-16(13-9-5-2-6-10-13)18-14(15(19)20-16)12-7-3-1-4-8-12/h1-10H,11H2/t16-/m1/s1
InChIKeyYBYZJNGMPMZKNB-MRXNPFEDSA-N
MW269.28 g/mol
LogP2.86
Rot. Bonds3

About (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one

(2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one (PubChem CID 139187282) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one
PubChem CID139187282
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name(2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one
SMILESO=C1O[C@](CF)(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C16H12FNO2/c17-11-16(13-9-5-2-6-10-13)18-14(15(19)20-16)12-7-3-1-4-8-12/h1-10H,11H2/t16-/m1/s1
InChIKeyYBYZJNGMPMZKNB-MRXNPFEDSA-N
XLogP2.86
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one?
The IUPAC name of (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one (CID 139187282) is (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one.
What is the SMILES notation for (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one?
The canonical SMILES for (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one is O=C1O[C@](CF)(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one?
The InChIKey is YBYZJNGMPMZKNB-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-11-16(13-9-5-2-6-10-13)18-14(15(19)20-16)12-7-3-1-4-8-12/h1-10H,11H2/t16-/m1/s1.
What are the key properties of (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one?
(2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one has a molecular weight of 269.28 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-2,4-diphenyl-1,3-oxazol-5-one is sourced from PubChem (CID 139187282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).