4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole

C11H19N3O3S — CID 47522442

IUPAC4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(S(C)(=O)=O)CC2)oc1C
InChIInChI=1S/C11H19N3O3S/c1-9-10(2)17-11(12-9)8-13-4-6-14(7-5-13)18(3,15)16/h4-8H2,1-3H3
InChIKeyZXUUFTORBUJWDT-UHFFFAOYSA-N
MW273.36 g/mol
LogP0.37
Rot. Bonds3

About 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole

4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole (PubChem CID 47522442) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
PubChem CID47522442
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole
SMILESCc1nc(CN2CCN(S(C)(=O)=O)CC2)oc1C
InChIInChI=1S/C11H19N3O3S/c1-9-10(2)17-11(12-9)8-13-4-6-14(7-5-13)18(3,15)16/h4-8H2,1-3H3
InChIKeyZXUUFTORBUJWDT-UHFFFAOYSA-N
XLogP0.37
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole?
The IUPAC name of 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole (CID 47522442) is 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole.
What is the SMILES notation for 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole?
The canonical SMILES for 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole is Cc1nc(CN2CCN(S(C)(=O)=O)CC2)oc1C.
What is the InChIKey of 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole?
The InChIKey is ZXUUFTORBUJWDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-9-10(2)17-11(12-9)8-13-4-6-14(7-5-13)18(3,15)16/h4-8H2,1-3H3.
What are the key properties of 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole?
4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole has a molecular weight of 273.36 g/mol, XLogP of 0.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(4-methylsulfonylpiperazin-1-yl)methyl]-1,3-oxazole is sourced from PubChem (CID 47522442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).