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

C18H17ClN2O4S — CID 5329858

IUPAC5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C18H17ClN2O4S/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)
InChIKeyLBKSEXFJQLMCIG-UHFFFAOYSA-N
MW392.86 g/mol
LogP4.54
Rot. Bonds6

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

5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine (PubChem CID 5329858) has the molecular formula C18H17ClN2O4S and a molecular weight of 392.86 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine
PubChem CID5329858
Molecular FormulaC18H17ClN2O4S
Molecular Weight392.86 g/mol
Exact Mass392.06
IUPAC Name5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(Cl)c3)o2)c1
InChIInChI=1S/C18H17ClN2O4S/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)
InChIKeyLBKSEXFJQLMCIG-UHFFFAOYSA-N
XLogP4.54
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.86
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine (CID 5329858) is 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine is CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(Cl)c3)o2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is LBKSEXFJQLMCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O4S/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 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine?
5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 392.86 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 5329858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).