(4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole

C18H19NO2S — CID 138550974

IUPAC(4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[S@@](=O)c1ccccc1C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C18H19NO2S/c1-13(2)22(20)17-11-7-6-10-15(17)18-19-16(12-21-18)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/t16-,22-/m1/s1
InChIKeyFNJLJPAOKNJGKF-OPAMFIHVSA-N
MW313.42 g/mol
LogP3.72
Rot. Bonds4

About (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole

(4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 138550974) has the molecular formula C18H19NO2S and a molecular weight of 313.42 g/mol. Its IUPAC name is (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID138550974
Molecular FormulaC18H19NO2S
Molecular Weight313.42 g/mol
Exact Mass313.11
IUPAC Name(4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[S@@](=O)c1ccccc1C1=N[C@@H](c2ccccc2)CO1
InChIInChI=1S/C18H19NO2S/c1-13(2)22(20)17-11-7-6-10-15(17)18-19-16(12-21-18)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/t16-,22-/m1/s1
InChIKeyFNJLJPAOKNJGKF-OPAMFIHVSA-N
XLogP3.72
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 138550974) is (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole is CC(C)[S@@](=O)c1ccccc1C1=N[C@@H](c2ccccc2)CO1.
What is the InChIKey of (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is FNJLJPAOKNJGKF-OPAMFIHVSA-N. The full InChI is InChI=1S/C18H19NO2S/c1-13(2)22(20)17-11-7-6-10-15(17)18-19-16(12-21-18)14-8-4-3-5-9-14/h3-11,13,16H,12H2,1-2H3/t16-,22-/m1/s1.
What are the key properties of (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 313.42 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-phenyl-2-[2-[(R)-propan-2-ylsulfinyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 138550974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).