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

C12H12ClFN2O3S — CID 104522917

IUPAC4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
SMILESCC(c1onc(N)c1-c1cccc(Cl)c1F)S(C)(=O)=O
InChIInChI=1S/C12H12ClFN2O3S/c1-6(20(2,17)18)11-9(12(15)16-19-11)7-4-3-5-8(13)10(7)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyMGMFGRASQBBLJY-UHFFFAOYSA-N
MW318.76 g/mol
LogP2.82
Rot. Bonds3

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

4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine (PubChem CID 104522917) has the molecular formula C12H12ClFN2O3S and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
PubChem CID104522917
Molecular FormulaC12H12ClFN2O3S
Molecular Weight318.76 g/mol
Exact Mass318.02
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
SMILESCC(c1onc(N)c1-c1cccc(Cl)c1F)S(C)(=O)=O
InChIInChI=1S/C12H12ClFN2O3S/c1-6(20(2,17)18)11-9(12(15)16-19-11)7-4-3-5-8(13)10(7)14/h3-6H,1-2H3,(H2,15,16)
InChIKeyMGMFGRASQBBLJY-UHFFFAOYSA-N
XLogP2.82
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-chloro-2-fluorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 82808316
4-(2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522872
4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522867
4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine
CID 82802899
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
4-(3-chloro-2-fluorophenyl)-5-(2,2-dimethylcyclopropyl)-1,2-oxazol-3-amine
CID 107003659
4-(2,6-dichlorophenyl)-5-propan-2-yl-1,2-oxazol-3-amine
CID 66206618
4-(3-chloro-2-fluorophenyl)-3-(2-methylpropyl)-1,2-oxazol-5-amine
CID 82802668
4-(3-chloro-2-fluorophenyl)-5-heptyl-1,2-oxazol-3-amine
CID 82792888
4-(3-chloro-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazol-3-amine
CID 82808433
5-[3-amino-4-(3-chloro-2-fluorophenyl)-1,2-oxazol-5-yl]-1H-pyridin-2-one
CID 136742869
4-(3-chloro-2-fluorophenyl)-3-(1-cyclopropylethyl)-1,2-oxazol-5-amine
CID 83153855

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine (CID 104522917) is 4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine is CC(c1onc(N)c1-c1cccc(Cl)c1F)S(C)(=O)=O.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The InChIKey is MGMFGRASQBBLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2O3S/c1-6(20(2,17)18)11-9(12(15)16-19-11)7-4-3-5-8(13)10(7)14/h3-6H,1-2H3,(H2,15,16).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine has a molecular weight of 318.76 g/mol, XLogP of 2.82, 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)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 104522917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).