(5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride

C8H12ClNO3S — CID 86812186

IUPAC(5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride
SMILESCC(C)(C)c1cc(CS(=O)(=O)Cl)no1
InChIInChI=1S/C8H12ClNO3S/c1-8(2,3)7-4-6(10-13-7)5-14(9,11)12/h4H,5H2,1-3H3
InChIKeyRMFLEGXHBIWIGT-UHFFFAOYSA-N
MW237.71 g/mol
LogP2.04
Rot. Bonds2

About (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride

(5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride (PubChem CID 86812186) has the molecular formula C8H12ClNO3S and a molecular weight of 237.71 g/mol. Its IUPAC name is (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride
PubChem CID86812186
Molecular FormulaC8H12ClNO3S
Molecular Weight237.71 g/mol
Exact Mass237.02
IUPAC Name(5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride
SMILESCC(C)(C)c1cc(CS(=O)(=O)Cl)no1
InChIInChI=1S/C8H12ClNO3S/c1-8(2,3)7-4-6(10-13-7)5-14(9,11)12/h4H,5H2,1-3H3
InChIKeyRMFLEGXHBIWIGT-UHFFFAOYSA-N
XLogP2.04
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.71
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The IUPAC name of (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride (CID 86812186) is (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The canonical SMILES for (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride is CC(C)(C)c1cc(CS(=O)(=O)Cl)no1.
What is the InChIKey of (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The InChIKey is RMFLEGXHBIWIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO3S/c1-8(2,3)7-4-6(10-13-7)5-14(9,11)12/h4H,5H2,1-3H3.
What are the key properties of (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
(5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride has a molecular weight of 237.71 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 86812186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).