5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole

C15H25NO3S — CID 71855137

IUPAC5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)CCC2CC(C)CC(C)C2)on1
InChIInChI=1S/C15H25NO3S/c1-11-6-12(2)8-14(7-11)4-5-20(17,18)10-15-9-13(3)16-19-15/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyMOHWBUCHNNRNIO-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.36
Rot. Bonds5

About 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole

5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole (PubChem CID 71855137) has the molecular formula C15H25NO3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole
PubChem CID71855137
Molecular FormulaC15H25NO3S
Molecular Weight299.44 g/mol
Exact Mass299.16
IUPAC Name5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CS(=O)(=O)CCC2CC(C)CC(C)C2)on1
InChIInChI=1S/C15H25NO3S/c1-11-6-12(2)8-14(7-11)4-5-20(17,18)10-15-9-13(3)16-19-15/h9,11-12,14H,4-8,10H2,1-3H3
InChIKeyMOHWBUCHNNRNIO-UHFFFAOYSA-N
XLogP3.36
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole (CID 71855137) is 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole is Cc1cc(CS(=O)(=O)CCC2CC(C)CC(C)C2)on1.
What is the InChIKey of 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole?
The InChIKey is MOHWBUCHNNRNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3S/c1-11-6-12(2)8-14(7-11)4-5-20(17,18)10-15-9-13(3)16-19-15/h9,11-12,14H,4-8,10H2,1-3H3.
What are the key properties of 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole?
5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole has a molecular weight of 299.44 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,5-dimethylcyclohexyl)ethylsulfonylmethyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 71855137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).