4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one

C22H15NO2 — CID 149432517

IUPAC4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C22H15NO2/c24-21-16-10-5-4-9-15(16)20-17(21)11-6-12-18(20)22-23-19(13-25-22)14-7-2-1-3-8-14/h1-12,19H,13H2/t19-/m1/s1
InChIKeyRGRHOZXRGVWPAS-LJQANCHMSA-N
MW325.37 g/mol
LogP4.42
Rot. Bonds2

About 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one

4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one (PubChem CID 149432517) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one.

Molecular Properties

Compound Name4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
PubChem CID149432517
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
SMILESO=C1c2ccccc2-c2c1cccc2C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C22H15NO2/c24-21-16-10-5-4-9-15(16)20-17(21)11-6-12-18(20)22-23-19(13-25-22)14-7-2-1-3-8-14/h1-12,19H,13H2/t19-/m1/s1
InChIKeyRGRHOZXRGVWPAS-LJQANCHMSA-N
XLogP4.42
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one?
The IUPAC name of 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one (CID 149432517) is 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one.
What is the SMILES notation for 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one?
The canonical SMILES for 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one is O=C1c2ccccc2-c2c1cccc2C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one?
The InChIKey is RGRHOZXRGVWPAS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H15NO2/c24-21-16-10-5-4-9-15(16)20-17(21)11-6-12-18(20)22-23-19(13-25-22)14-7-2-1-3-8-14/h1-12,19H,13H2/t19-/m1/s1.
What are the key properties of 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one?
4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one has a molecular weight of 325.37 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one is sourced from PubChem (CID 149432517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).