[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride

C10H7ClFNO3S — CID 43810676

IUPAC[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H7ClFNO3S/c11-17(14,15)6-9-5-10(13-16-9)7-1-3-8(12)4-2-7/h1-5H,6H2
InChIKeyYRFXJTPAQIOFIG-UHFFFAOYSA-N
MW275.69 g/mol
LogP2.55
Rot. Bonds3

About [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride

[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride (PubChem CID 43810676) has the molecular formula C10H7ClFNO3S and a molecular weight of 275.69 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride
PubChem CID43810676
Molecular FormulaC10H7ClFNO3S
Molecular Weight275.69 g/mol
Exact Mass274.98
IUPAC Name[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cc(-c2ccc(F)cc2)no1
InChIInChI=1S/C10H7ClFNO3S/c11-17(14,15)6-9-5-10(13-16-9)7-1-3-8(12)4-2-7/h1-5H,6H2
InChIKeyYRFXJTPAQIOFIG-UHFFFAOYSA-N
XLogP2.55
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.69
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride?
The IUPAC name of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride (CID 43810676) is [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride.
What is the SMILES notation for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride?
The canonical SMILES for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride is O=S(=O)(Cl)Cc1cc(-c2ccc(F)cc2)no1.
What is the InChIKey of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride?
The InChIKey is YRFXJTPAQIOFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO3S/c11-17(14,15)6-9-5-10(13-16-9)7-1-3-8(12)4-2-7/h1-5H,6H2.
What are the key properties of [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride?
[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride has a molecular weight of 275.69 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,2-oxazol-5-yl]methanesulfonyl chloride is sourced from PubChem (CID 43810676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).