3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole

C12H11ClFNO4S — CID 146144239

IUPAC3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CS(=O)(=O)c2ccc(F)cc2Cl)no1
InChIInChI=1S/C12H11ClFNO4S/c1-18-6-10-5-9(15-19-10)7-20(16,17)12-3-2-8(14)4-11(12)13/h2-5H,6-7H2,1H3
InChIKeyXWIUSFLHSLTTDY-UHFFFAOYSA-N
MW319.74 g/mol
LogP2.59
Rot. Bonds5

About 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole

3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole (PubChem CID 146144239) has the molecular formula C12H11ClFNO4S and a molecular weight of 319.74 g/mol. Its IUPAC name is 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
PubChem CID146144239
Molecular FormulaC12H11ClFNO4S
Molecular Weight319.74 g/mol
Exact Mass319.01
IUPAC Name3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole
SMILESCOCc1cc(CS(=O)(=O)c2ccc(F)cc2Cl)no1
InChIInChI=1S/C12H11ClFNO4S/c1-18-6-10-5-9(15-19-10)7-20(16,17)12-3-2-8(14)4-11(12)13/h2-5H,6-7H2,1H3
InChIKeyXWIUSFLHSLTTDY-UHFFFAOYSA-N
XLogP2.59
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.74
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The IUPAC name of 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole (CID 146144239) is 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole.
What is the SMILES notation for 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The canonical SMILES for 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole is COCc1cc(CS(=O)(=O)c2ccc(F)cc2Cl)no1.
What is the InChIKey of 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
The InChIKey is XWIUSFLHSLTTDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO4S/c1-18-6-10-5-9(15-19-10)7-20(16,17)12-3-2-8(14)4-11(12)13/h2-5H,6-7H2,1H3.
What are the key properties of 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole?
3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole has a molecular weight of 319.74 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-fluorophenyl)sulfonylmethyl]-5-(methoxymethyl)-1,2-oxazole is sourced from PubChem (CID 146144239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).