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

C12H13FN2O3S — CID 104522867

IUPAC4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
SMILESCC(c1onc(N)c1-c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H13FN2O3S/c1-7(19(2,16)17)11-10(12(14)15-18-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,15)
InChIKeyJIROKJOMTFQORV-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.17
Rot. Bonds3

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

4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine (PubChem CID 104522867) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
PubChem CID104522867
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC Name4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
SMILESCC(c1onc(N)c1-c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C12H13FN2O3S/c1-7(19(2,16)17)11-10(12(14)15-18-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,15)
InChIKeyJIROKJOMTFQORV-UHFFFAOYSA-N
XLogP2.17
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-butan-2-yl-4-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 66198336
4-(2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522872
4-(3-chloro-2-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine
CID 104522917
5-(4-fluorophenyl)-2-methylsulfonylpyrimidine-4,6-diamine
CID 175477707
4-(4-bromophenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66199519
4-(4-chlorophenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519635
4-(4-methoxyphenyl)-5-(3-methylbutan-2-yl)-1,2-oxazol-3-amine
CID 66198552
4-(4-methoxyphenyl)-5-(1-methylsulfonylethyl)-1H-pyrazol-3-amine
CID 104519640
5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
CID 66200306
4-(4-fluorophenyl)-5-(1H-pyrazol-5-yl)-1,2-oxazol-3-amine
CID 66198144
4-[4-(difluoromethoxy)phenyl]-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66200738
5-(1-methylsulfonylethyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 104519732

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine (CID 104522867) is 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine is CC(c1onc(N)c1-c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
The InChIKey is JIROKJOMTFQORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-7(19(2,16)17)11-10(12(14)15-18-11)8-3-5-9(13)6-4-8/h3-7H,1-2H3,(H2,14,15).
What are the key properties of 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine?
4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine has a molecular weight of 284.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-(1-methylsulfonylethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 104522867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).