(4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole

C16H15NO3S — CID 10902690

IUPAC(4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)[C@@H]2N=CO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S/c1-12-7-9-14(10-8-12)21(18,19)16-15(20-11-17-16)13-5-3-2-4-6-13/h2-11,15-16H,1H3/t15-,16-/m0/s1
InChIKeyIUFOWTSDXSAVKD-HOTGVXAUSA-N
MW301.37 g/mol
LogP2.89
Rot. Bonds3

About (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole

(4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 10902690) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID10902690
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)[C@@H]2N=CO[C@H]2c2ccccc2)cc1
InChIInChI=1S/C16H15NO3S/c1-12-7-9-14(10-8-12)21(18,19)16-15(20-11-17-16)13-5-3-2-4-6-13/h2-11,15-16H,1H3/t15-,16-/m0/s1
InChIKeyIUFOWTSDXSAVKD-HOTGVXAUSA-N
XLogP2.89
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole (CID 10902690) is (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole is Cc1ccc(S(=O)(=O)[C@@H]2N=CO[C@H]2c2ccccc2)cc1.
What is the InChIKey of (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is IUFOWTSDXSAVKD-HOTGVXAUSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-12-7-9-14(10-8-12)21(18,19)16-15(20-11-17-16)13-5-3-2-4-6-13/h2-11,15-16H,1H3/t15-,16-/m0/s1.
What are the key properties of (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole?
(4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 301.37 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-(4-methylphenyl)sulfonyl-5-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10902690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).