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

C5H6ClNO3S — CID 43423546

IUPAC(5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)no1
InChIInChI=1S/C5H6ClNO3S/c1-4-2-5(7-10-4)3-11(6,8)9/h2H,3H2,1H3
InChIKeyWOWWVNYKESDXKF-UHFFFAOYSA-N
MW195.63 g/mol
LogP1.05
Rot. Bonds2

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

(5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride (PubChem CID 43423546) has the molecular formula C5H6ClNO3S and a molecular weight of 195.63 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride
PubChem CID43423546
Molecular FormulaC5H6ClNO3S
Molecular Weight195.63 g/mol
Exact Mass194.98
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)no1
InChIInChI=1S/C5H6ClNO3S/c1-4-2-5(7-10-4)3-11(6,8)9/h2H,3H2,1H3
InChIKeyWOWWVNYKESDXKF-UHFFFAOYSA-N
XLogP1.05
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.63
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 9312
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CID 16443300
5-Methyl-3-isoxazolemethanethiol
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3-Ethynyl-5-methyl-1,2-oxazole
CID 89053237
N-methyl-1-(5-methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 28788252
N-cyclohexyl-1-(3-methyl-1,2-oxazol-5-yl)methanesulfonamide
CID 72137970
5-[Bis(methylsulfanyl)methyl]-3-methyl-1,2-oxazole
CID 355657
(5-Methyl-1,2-oxazol-3-yl)methanesulfonamide
CID 28788245
(3-Methyl-1,2-oxazol-5-yl)methanesulfonyl chloride
CID 56828033
(5-Tert-butyl-1,2-oxazol-3-yl)methanesulfonyl chloride
CID 86812186
(3-Cyclopropyl-1,2-oxazol-5-yl)methanesulfonyl chloride
CID 137935931

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride (CID 43423546) is (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride is Cc1cc(CS(=O)(=O)Cl)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
The InChIKey is WOWWVNYKESDXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3S/c1-4-2-5(7-10-4)3-11(6,8)9/h2H,3H2,1H3.
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride?
(5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride has a molecular weight of 195.63 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methanesulfonyl chloride is sourced from PubChem (CID 43423546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).