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

C5H6ClNO3S — CID 56828033

IUPAC(3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)on1
InChIInChI=1S/C5H6ClNO3S/c1-4-2-5(10-7-4)3-11(6,8)9/h2H,3H2,1H3
InChIKeyFDPJZSWTOPFDNI-UHFFFAOYSA-N
MW195.63 g/mol
LogP1.05
Rot. Bonds2

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

(3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride (PubChem CID 56828033) has the molecular formula C5H6ClNO3S and a molecular weight of 195.63 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride
PubChem CID56828033
Molecular FormulaC5H6ClNO3S
Molecular Weight195.63 g/mol
Exact Mass194.98
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride
SMILESCc1cc(CS(=O)(=O)Cl)on1
InChIInChI=1S/C5H6ClNO3S/c1-4-2-5(10-7-4)3-11(6,8)9/h2H,3H2,1H3
InChIKeyFDPJZSWTOPFDNI-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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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride (CID 56828033) is (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride is Cc1cc(CS(=O)(=O)Cl)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride?
The InChIKey is FDPJZSWTOPFDNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClNO3S/c1-4-2-5(10-7-4)3-11(6,8)9/h2H,3H2,1H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride?
(3-methyl-1,2-oxazol-5-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 (3-methyl-1,2-oxazol-5-yl)methanesulfonyl chloride is sourced from PubChem (CID 56828033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).