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

C18H18N2O4S — CID 5329856

IUPACN-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H18N2O4S/c1-3-25(21,22)14-9-10-16(23-2)15(11-14)20-18-19-12-17(24-18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyODGMIRDHEZREOW-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.89
Rot. Bonds6

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

N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine (PubChem CID 5329856) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
PubChem CID5329856
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccccc3)o2)c1
InChIInChI=1S/C18H18N2O4S/c1-3-25(21,22)14-9-10-16(23-2)15(11-14)20-18-19-12-17(24-18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,19,20)
InChIKeyODGMIRDHEZREOW-UHFFFAOYSA-N
XLogP3.89
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.89
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-phenyl-1,3-oxazol-2-amine?
The IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine (CID 5329856) is N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine.
What is the SMILES notation for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The canonical SMILES for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine is CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccccc3)o2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
The InChIKey is ODGMIRDHEZREOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-3-25(21,22)14-9-10-16(23-2)15(11-14)20-18-19-12-17(24-18)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3,(H,19,20).
What are the key properties of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine?
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine has a molecular weight of 358.42 g/mol, XLogP of 3.89, 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-phenyl-1,3-oxazol-2-amine is sourced from PubChem (CID 5329856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).