5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole

C15H19NO3S — CID 138969295

IUPAC5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2ncoc2CC(C)(C)C)cc1
InChIInChI=1S/C15H19NO3S/c1-11-5-7-12(8-6-11)20(17,18)14-13(19-10-16-14)9-15(2,3)4/h5-8,10H,9H2,1-4H3
InChIKeyIYRIGLPRKBXRRJ-UHFFFAOYSA-N
MW293.39 g/mol
LogP3.40
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole

5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole (PubChem CID 138969295) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
PubChem CID138969295
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
SMILESCc1ccc(S(=O)(=O)c2ncoc2CC(C)(C)C)cc1
InChIInChI=1S/C15H19NO3S/c1-11-5-7-12(8-6-11)20(17,18)14-13(19-10-16-14)9-15(2,3)4/h5-8,10H,9H2,1-4H3
InChIKeyIYRIGLPRKBXRRJ-UHFFFAOYSA-N
XLogP3.40
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The IUPAC name of 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole (CID 138969295) is 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The canonical SMILES for 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole is Cc1ccc(S(=O)(=O)c2ncoc2CC(C)(C)C)cc1.
What is the InChIKey of 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
The InChIKey is IYRIGLPRKBXRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11-5-7-12(8-6-11)20(17,18)14-13(19-10-16-14)9-15(2,3)4/h5-8,10H,9H2,1-4H3.
What are the key properties of 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole?
5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole has a molecular weight of 293.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole is sourced from PubChem (CID 138969295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).