3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride

C10H8ClNO4S — CID 125425595

IUPAC3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride
SMILESCOc1ccc(-c2cc(S(=O)(=O)Cl)on2)cc1
InChIInChI=1S/C10H8ClNO4S/c1-15-8-4-2-7(3-5-8)9-6-10(16-12-9)17(11,13)14/h2-6H,1H3
InChIKeyLJAFUEOPUDMYED-UHFFFAOYSA-N
MW273.70 g/mol
LogP2.28
Rot. Bonds3

About 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride

3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride (PubChem CID 125425595) has the molecular formula C10H8ClNO4S and a molecular weight of 273.70 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride
PubChem CID125425595
Molecular FormulaC10H8ClNO4S
Molecular Weight273.70 g/mol
Exact Mass272.99
IUPAC Name3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride
SMILESCOc1ccc(-c2cc(S(=O)(=O)Cl)on2)cc1
InChIInChI=1S/C10H8ClNO4S/c1-15-8-4-2-7(3-5-8)9-6-10(16-12-9)17(11,13)14/h2-6H,1H3
InChIKeyLJAFUEOPUDMYED-UHFFFAOYSA-N
XLogP2.28
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.70
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride?
The IUPAC name of 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride (CID 125425595) is 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride is COc1ccc(-c2cc(S(=O)(=O)Cl)on2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride?
The InChIKey is LJAFUEOPUDMYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO4S/c1-15-8-4-2-7(3-5-8)9-6-10(16-12-9)17(11,13)14/h2-6H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride?
3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride has a molecular weight of 273.70 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2-oxazole-5-sulfonyl chloride is sourced from PubChem (CID 125425595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).