5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole

C10H8ClNO3S — CID 70025609

IUPAC5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)on2)cc1
InChIInChI=1S/C10H8ClNO3S/c1-16(13,14)8-4-2-7(3-5-8)9-6-10(11)15-12-9/h2-6H,1H3
InChIKeySGSJKVJAFKHQTC-UHFFFAOYSA-N
MW257.70 g/mol
LogP2.40
Rot. Bonds2

About 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole

5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole (PubChem CID 70025609) has the molecular formula C10H8ClNO3S and a molecular weight of 257.70 g/mol. Its IUPAC name is 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole.

Molecular Properties

Compound Name5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole
PubChem CID70025609
Molecular FormulaC10H8ClNO3S
Molecular Weight257.70 g/mol
Exact Mass256.99
IUPAC Name5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole
SMILESCS(=O)(=O)c1ccc(-c2cc(Cl)on2)cc1
InChIInChI=1S/C10H8ClNO3S/c1-16(13,14)8-4-2-7(3-5-8)9-6-10(11)15-12-9/h2-6H,1H3
InChIKeySGSJKVJAFKHQTC-UHFFFAOYSA-N
XLogP2.40
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The IUPAC name of 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole (CID 70025609) is 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole.
What is the SMILES notation for 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The canonical SMILES for 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole is CS(=O)(=O)c1ccc(-c2cc(Cl)on2)cc1.
What is the InChIKey of 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole?
The InChIKey is SGSJKVJAFKHQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3S/c1-16(13,14)8-4-2-7(3-5-8)9-6-10(11)15-12-9/h2-6H,1H3.
What are the key properties of 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole?
5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole has a molecular weight of 257.70 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(4-methylsulfonylphenyl)-1,2-oxazole is sourced from PubChem (CID 70025609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).