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

C20H22N2O4S — CID 5329867

IUPAC5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCCc1cccc(-c2cnc(Nc3cc(S(=O)(=O)CC)ccc3OC)o2)c1
InChIInChI=1S/C20H22N2O4S/c1-4-14-7-6-8-15(11-14)19-13-21-20(26-19)22-17-12-16(27(23,24)5-2)9-10-18(17)25-3/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyOWRNZCGLKGYOBT-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.45
Rot. Bonds7

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

5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine (PubChem CID 5329867) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine
PubChem CID5329867
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine
SMILESCCc1cccc(-c2cnc(Nc3cc(S(=O)(=O)CC)ccc3OC)o2)c1
InChIInChI=1S/C20H22N2O4S/c1-4-14-7-6-8-15(11-14)19-13-21-20(26-19)22-17-12-16(27(23,24)5-2)9-10-18(17)25-3/h6-13H,4-5H2,1-3H3,(H,21,22)
InChIKeyOWRNZCGLKGYOBT-UHFFFAOYSA-N
XLogP4.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine (CID 5329867) is 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine is CCc1cccc(-c2cnc(Nc3cc(S(=O)(=O)CC)ccc3OC)o2)c1.
What is the InChIKey of 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is OWRNZCGLKGYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-4-14-7-6-8-15(11-14)19-13-21-20(26-19)22-17-12-16(27(23,24)5-2)9-10-18(17)25-3/h6-13H,4-5H2,1-3H3,(H,21,22).
What are the key properties of 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine?
5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 386.47 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylphenyl)-N-(5-ethylsulfonyl-2-methoxyphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 5329867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).