4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine

C11H10ClFN2O3S — CID 82802899

IUPAC4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)Cc1noc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C11H10ClFN2O3S/c1-19(16,17)5-8-9(11(14)18-15-8)6-3-2-4-7(12)10(6)13/h2-4H,5,14H2,1H3
InChIKeyHMXZJSFQWDNOEM-UHFFFAOYSA-N
MW304.73 g/mol
LogP2.26
Rot. Bonds3

About 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine

4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine (PubChem CID 82802899) has the molecular formula C11H10ClFN2O3S and a molecular weight of 304.73 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine
PubChem CID82802899
Molecular FormulaC11H10ClFN2O3S
Molecular Weight304.73 g/mol
Exact Mass304.01
IUPAC Name4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)Cc1noc(N)c1-c1cccc(Cl)c1F
InChIInChI=1S/C11H10ClFN2O3S/c1-19(16,17)5-8-9(11(14)18-15-8)6-3-2-4-7(12)10(6)13/h2-4H,5,14H2,1H3
InChIKeyHMXZJSFQWDNOEM-UHFFFAOYSA-N
XLogP2.26
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.73
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(3-chloro-2-fluorophenyl)-1-methyl-3-(methylsulfonylmethyl)pyrazol-5-amine
CID 82802228
4-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazol-5-amine
CID 82787791
4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522917
4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine
CID 83153855
4-(3-chloro-2-fluorophenyl)-3-(5-methylfuran-3-yl)-1,2-oxazol-5-amine
CID 114821385
4-(3-chloro-2-fluorophenyl)-3-(5-methyl-3-pyridinyl)-1,2-oxazol-5-amine
CID 82788090
4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
3-(3-chloro-2-fluorophenyl)-4-thiophen-2-yl-1,2-oxazol-5-amine
CID 81265627
4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 82792888
4-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylcyclopropyl)-1,2-oxazol-3-amine
CID 107003659
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine (CID 82802899) is 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine is CS(=O)(=O)Cc1noc(N)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine?
The InChIKey is HMXZJSFQWDNOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O3S/c1-19(16,17)5-8-9(11(14)18-15-8)6-3-2-4-7(12)10(6)13/h2-4H,5,14H2,1H3.
What are the key properties of 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine?
4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine has a molecular weight of 304.73 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82802899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).