N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine

C18H17FN2O4S — CID 5329861

IUPACN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(F)c3)o2)c1
InChIInChI=1S/C18H17FN2O4S/c1-3-26(22,23)14-7-8-16(24-2)15(10-14)21-18-20-11-17(25-18)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyVKLQCYYJIRWXHJ-UHFFFAOYSA-N
MW376.41 g/mol
LogP4.03
Rot. Bonds6

About N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine

N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine (PubChem CID 5329861) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine
PubChem CID5329861
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC NameN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(F)c3)o2)c1
InChIInChI=1S/C18H17FN2O4S/c1-3-26(22,23)14-7-8-16(24-2)15(10-14)21-18-20-11-17(25-18)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3,(H,20,21)
InChIKeyVKLQCYYJIRWXHJ-UHFFFAOYSA-N
XLogP4.03
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine (CID 5329861) is N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine is CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(F)c3)o2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine?
The InChIKey is VKLQCYYJIRWXHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-3-26(22,23)14-7-8-16(24-2)15(10-14)21-18-20-11-17(25-18)12-5-4-6-13(19)9-12/h4-11H,3H2,1-2H3,(H,20,21).
What are the key properties of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine?
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine has a molecular weight of 376.41 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-fluorophenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 5329861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).