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

C19H20N2O5S — CID 5329860

IUPACN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C19H20N2O5S/c1-4-27(22,23)15-8-9-17(25-3)16(11-15)21-19-20-12-18(26-19)13-6-5-7-14(10-13)24-2/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyGOGIUMBXFRNDRK-UHFFFAOYSA-N
MW388.45 g/mol
LogP3.90
Rot. Bonds7

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

N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine (PubChem CID 5329860) has the molecular formula C19H20N2O5S and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine
PubChem CID5329860
Molecular FormulaC19H20N2O5S
Molecular Weight388.45 g/mol
Exact Mass388.11
IUPAC NameN-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(OC)c3)o2)c1
InChIInChI=1S/C19H20N2O5S/c1-4-27(22,23)15-8-9-17(25-3)16(11-15)21-19-20-12-18(26-19)13-6-5-7-14(10-13)24-2/h5-12H,4H2,1-3H3,(H,20,21)
InChIKeyGOGIUMBXFRNDRK-UHFFFAOYSA-N
XLogP3.90
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine (CID 5329860) is N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine is CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3cccc(OC)c3)o2)c1.
What is the InChIKey of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is GOGIUMBXFRNDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S/c1-4-27(22,23)15-8-9-17(25-3)16(11-15)21-19-20-12-18(26-19)13-6-5-7-14(10-13)24-2/h5-12H,4H2,1-3H3,(H,20,21).
What are the key properties of N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine?
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 388.45 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfonyl-2-methoxyphenyl)-5-(3-methoxyphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 5329860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).