2-butylsulfonyl-4-methyl-1,3-oxazole

C8H13NO3S — CID 21329730

IUPAC2-butylsulfonyl-4-methyl-1,3-oxazole
SMILESCCCCS(=O)(=O)c1nc(C)co1
InChIInChI=1S/C8H13NO3S/c1-3-4-5-13(10,11)8-9-7(2)6-12-8/h6H,3-5H2,1-2H3
InChIKeySWUCSWPQVRMJJQ-UHFFFAOYSA-N
MW203.26 g/mol
LogP1.56
Rot. Bonds4

About 2-butylsulfonyl-4-methyl-1,3-oxazole

2-butylsulfonyl-4-methyl-1,3-oxazole (PubChem CID 21329730) has the molecular formula C8H13NO3S and a molecular weight of 203.26 g/mol. Its IUPAC name is 2-butylsulfonyl-4-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-butylsulfonyl-4-methyl-1,3-oxazole
PubChem CID21329730
Molecular FormulaC8H13NO3S
Molecular Weight203.26 g/mol
Exact Mass203.06
IUPAC Name2-butylsulfonyl-4-methyl-1,3-oxazole
SMILESCCCCS(=O)(=O)c1nc(C)co1
InChIInChI=1S/C8H13NO3S/c1-3-4-5-13(10,11)8-9-7(2)6-12-8/h6H,3-5H2,1-2H3
InChIKeySWUCSWPQVRMJJQ-UHFFFAOYSA-N
XLogP1.56
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-butylsulfonyl-4-methyl-1,3-oxazole?
The IUPAC name of 2-butylsulfonyl-4-methyl-1,3-oxazole (CID 21329730) is 2-butylsulfonyl-4-methyl-1,3-oxazole.
What is the SMILES notation for 2-butylsulfonyl-4-methyl-1,3-oxazole?
The canonical SMILES for 2-butylsulfonyl-4-methyl-1,3-oxazole is CCCCS(=O)(=O)c1nc(C)co1.
What is the InChIKey of 2-butylsulfonyl-4-methyl-1,3-oxazole?
The InChIKey is SWUCSWPQVRMJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3S/c1-3-4-5-13(10,11)8-9-7(2)6-12-8/h6H,3-5H2,1-2H3.
What are the key properties of 2-butylsulfonyl-4-methyl-1,3-oxazole?
2-butylsulfonyl-4-methyl-1,3-oxazole has a molecular weight of 203.26 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfonyl-4-methyl-1,3-oxazole is sourced from PubChem (CID 21329730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).