4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine

C13H16N2O4S — CID 66200647

IUPAC4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2c(N)noc2CS(C)(=O)=O)cc1
InChIInChI=1S/C13H16N2O4S/c1-3-18-10-6-4-9(5-7-10)12-11(8-20(2,16)17)19-15-13(12)14/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyJYWMOLKOHCCDQW-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.87
Rot. Bonds5

About 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine

4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine (PubChem CID 66200647) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
PubChem CID66200647
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC Name4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
SMILESCCOc1ccc(-c2c(N)noc2CS(C)(=O)=O)cc1
InChIInChI=1S/C13H16N2O4S/c1-3-18-10-6-4-9(5-7-10)12-11(8-20(2,16)17)19-15-13(12)14/h4-7H,3,8H2,1-2H3,(H2,14,15)
InChIKeyJYWMOLKOHCCDQW-UHFFFAOYSA-N
XLogP1.87
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-ethoxyphenyl)-5-methyl-1,2-oxazol-3-amine
CID 66199638
5-tert-butyl-4-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 66200446
4-(4-ethoxyphenyl)-5-(2-methylfuran-3-yl)-1,2-oxazol-3-amine
CID 66199843
5-butyl-4-[4-(2-methylpropoxy)phenyl]-1,2-oxazol-3-amine
CID 66202645
4-(4-ethoxyphenyl)-5-(oxan-3-yl)-1,2-oxazol-3-amine
CID 66199845
5-(4-ethoxyphenyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80522490
4-(4-ethoxyphenyl)-3-(trifluoromethyl)-1,2-oxazol-5-amine
CID 43336169
4-methyl-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 66199398
5-(4-ethoxyphenyl)-1,2-oxazol-3-amine
CID 27242742
4-(4-ethoxyphenyl)-3-(2-methylbutan-2-yl)-1,2-oxazol-5-amine
CID 62677870
4-iodo-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine
CID 79557812
5-[(1-methoxycyclobutyl)methyl]-4-(4-methoxyphenyl)-1,2-oxazol-3-amine
CID 103558587

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine (CID 66200647) is 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine is CCOc1ccc(-c2c(N)noc2CS(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
The InChIKey is JYWMOLKOHCCDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-3-18-10-6-4-9(5-7-10)12-11(8-20(2,16)17)19-15-13(12)14/h4-7H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine?
4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine has a molecular weight of 296.35 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethoxyphenyl)-5-(methylsulfonylmethyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 66200647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).