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

C17H15FN2O3S — CID 18439720

IUPACN-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H15FN2O3S/c1-2-24(21,22)15-5-3-4-14(10-15)20-17-19-11-16(23-17)12-6-8-13(18)9-7-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyNFUAZIAKHDCKGA-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.02
Rot. Bonds5

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

N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine (PubChem CID 18439720) has the molecular formula C17H15FN2O3S and a molecular weight of 346.38 g/mol. Its IUPAC name is N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine
PubChem CID18439720
Molecular FormulaC17H15FN2O3S
Molecular Weight346.38 g/mol
Exact Mass346.08
IUPAC NameN-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)o2)c1
InChIInChI=1S/C17H15FN2O3S/c1-2-24(21,22)15-5-3-4-14(10-15)20-17-19-11-16(23-17)12-6-8-13(18)9-7-12/h3-11H,2H2,1H3,(H,19,20)
InChIKeyNFUAZIAKHDCKGA-UHFFFAOYSA-N
XLogP4.02
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine (CID 18439720) is N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine is CCS(=O)(=O)c1cccc(Nc2ncc(-c3ccc(F)cc3)o2)c1.
What is the InChIKey of N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine?
The InChIKey is NFUAZIAKHDCKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O3S/c1-2-24(21,22)15-5-3-4-14(10-15)20-17-19-11-16(23-17)12-6-8-13(18)9-7-12/h3-11H,2H2,1H3,(H,19,20).
What are the key properties of N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine?
N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine has a molecular weight of 346.38 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfonylphenyl)-5-(4-fluorophenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 18439720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).