(5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole

C16H15NO3S — CID 134904315

IUPAC(5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO3S/c1-12-7-9-14(10-8-12)21(18,19)16-11-15(17-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3/t16-/m1/s1
InChIKeyDAEDAKJWHVEZAZ-MRXNPFEDSA-N
MW301.37 g/mol
LogP2.92
Rot. Bonds3

About (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole

(5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole (PubChem CID 134904315) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole
PubChem CID134904315
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name(5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole
SMILESCc1ccc(S(=O)(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1
InChIInChI=1S/C16H15NO3S/c1-12-7-9-14(10-8-12)21(18,19)16-11-15(17-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3/t16-/m1/s1
InChIKeyDAEDAKJWHVEZAZ-MRXNPFEDSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole (CID 134904315) is (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole is Cc1ccc(S(=O)(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1.
What is the InChIKey of (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole?
The InChIKey is DAEDAKJWHVEZAZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-12-7-9-14(10-8-12)21(18,19)16-11-15(17-20-16)13-5-3-2-4-6-13/h2-10,16H,11H2,1H3/t16-/m1/s1.
What are the key properties of (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole?
(5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole has a molecular weight of 301.37 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(4-methylphenyl)sulfonyl-3-phenyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 134904315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).