4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide

C19H19N3O5S — CID 5329866

IUPAC4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)c1
InChIInChI=1S/C19H19N3O5S/c1-3-28(24,25)14-8-9-16(26-2)15(10-14)22-19-21-11-17(27-19)12-4-6-13(7-5-12)18(20)23/h4-11H,3H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyQYKZROZZKQVCOO-UHFFFAOYSA-N
MW401.44 g/mol
LogP2.99
Rot. Bonds7

About 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide

4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide (PubChem CID 5329866) has the molecular formula C19H19N3O5S and a molecular weight of 401.44 g/mol. Its IUPAC name is 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide.

Molecular Properties

Compound Name4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide
PubChem CID5329866
Molecular FormulaC19H19N3O5S
Molecular Weight401.44 g/mol
Exact Mass401.10
IUPAC Name4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide
SMILESCCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)c1
InChIInChI=1S/C19H19N3O5S/c1-3-28(24,25)14-8-9-16(26-2)15(10-14)22-19-21-11-17(27-19)12-4-6-13(7-5-12)18(20)23/h4-11H,3H2,1-2H3,(H2,20,23)(H,21,22)
InChIKeyQYKZROZZKQVCOO-UHFFFAOYSA-N
XLogP2.99
TPSA124.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide?
The IUPAC name of 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide (CID 5329866) is 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide.
What is the SMILES notation for 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide?
The canonical SMILES for 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide is CCS(=O)(=O)c1ccc(OC)c(Nc2ncc(-c3ccc(C(N)=O)cc3)o2)c1.
What is the InChIKey of 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide?
The InChIKey is QYKZROZZKQVCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S/c1-3-28(24,25)14-8-9-16(26-2)15(10-14)22-19-21-11-17(27-19)12-4-6-13(7-5-12)18(20)23/h4-11H,3H2,1-2H3,(H2,20,23)(H,21,22).
What are the key properties of 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide?
4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide has a molecular weight of 401.44 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethylsulfonyl-2-methoxyanilino)-1,3-oxazol-5-yl]benzamide is sourced from PubChem (CID 5329866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).