(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole

C19H21NO2S — CID 101265562

IUPAC(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)C(C)(C)C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C19H21NO2S/c1-14-9-11-16(12-10-14)23(21)19(2,3)18-20-17(13-22-18)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3/t17-,23?/m1/s1
InChIKeyCWMOCXWGGJLIBB-LIXIDFRTSA-N
MW327.45 g/mol
LogP4.05
Rot. Bonds4

About (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole

(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 101265562) has the molecular formula C19H21NO2S and a molecular weight of 327.45 g/mol. Its IUPAC name is (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID101265562
Molecular FormulaC19H21NO2S
Molecular Weight327.45 g/mol
Exact Mass327.13
IUPAC Name(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)C(C)(C)C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C19H21NO2S/c1-14-9-11-16(12-10-14)23(21)19(2,3)18-20-17(13-22-18)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3/t17-,23?/m1/s1
InChIKeyCWMOCXWGGJLIBB-LIXIDFRTSA-N
XLogP4.05
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

chlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 24769983
2-[2-(4-methylphenyl)sulfinylphenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 154727025
dichlorocopper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 11294328
copper;bis(hexafluoroantimony(1-));(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 44517919
1-methyl-4-(2-phenylpropan-2-ylsulfinyl)benzene
CID 10825129
2-[2-[(R)-(4-methylphenyl)sulfinyl]-5-(trifluoromethyl)phenyl]-4-phenyl-4,5-dihydro-1,3-oxazole
CID 138551067
copper;(4R)-4-phenyl-2-[2-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazole;bis(trifluoromethanesulfonate)
CID 10897782
(4S)-4-phenyl-2-[2-[6-[6-[2-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-2-pyridinyl]-2-pyridinyl]propan-2-yl]-4,5-dihydro-1,3-oxazole
CID 101183979
2-[2,2-bis[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propyl]phenol
CID 101488275
4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole
CID 161218625
3-phenyl-5-propan-2-yl-2,3-dihydro-1,4-oxazin-6-one
CID 58508366
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Frequently Asked Questions

What is the IUPAC name of (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole (CID 101265562) is (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)C(C)(C)C2=N[C@@H](c3ccccc3)CO2)cc1.
What is the InChIKey of (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CWMOCXWGGJLIBB-LIXIDFRTSA-N. The full InChI is InChI=1S/C19H21NO2S/c1-14-9-11-16(12-10-14)23(21)19(2,3)18-20-17(13-22-18)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3/t17-,23?/m1/s1.
What are the key properties of (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole?
(4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 327.45 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[2-(4-methylphenyl)sulfinylpropan-2-yl]-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101265562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).