N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C23H22N4O4S — CID 16592826

IUPACN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3ccccc3OCc3noc(C)n3)sc2C)cc1
InChIInChI=1S/C23H22N4O4S/c1-4-29-17-11-9-16(10-12-17)21-14(2)32-23(25-21)26-22(28)18-7-5-6-8-19(18)30-13-20-24-15(3)31-27-20/h5-12H,4,13H2,1-3H3,(H,25,26,28)
InChIKeyIKZCGLZPABLNTE-UHFFFAOYSA-N
MW450.52 g/mol
LogP5.04
Rot. Bonds8

About N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 16592826) has the molecular formula C23H22N4O4S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID16592826
Molecular FormulaC23H22N4O4S
Molecular Weight450.52 g/mol
Exact Mass450.14
IUPAC NameN-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCCOc1ccc(-c2nc(NC(=O)c3ccccc3OCc3noc(C)n3)sc2C)cc1
InChIInChI=1S/C23H22N4O4S/c1-4-29-17-11-9-16(10-12-17)21-14(2)32-23(25-21)26-22(28)18-7-5-6-8-19(18)30-13-20-24-15(3)31-27-20/h5-12H,4,13H2,1-3H3,(H,25,26,28)
InChIKeyIKZCGLZPABLNTE-UHFFFAOYSA-N
XLogP5.04
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 16592826) is N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is CCOc1ccc(-c2nc(NC(=O)c3ccccc3OCc3noc(C)n3)sc2C)cc1.
What is the InChIKey of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is IKZCGLZPABLNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4S/c1-4-29-17-11-9-16(10-12-17)21-14(2)32-23(25-21)26-22(28)18-7-5-6-8-19(18)30-13-20-24-15(3)31-27-20/h5-12H,4,13H2,1-3H3,(H,25,26,28).
What are the key properties of N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 450.52 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-ethoxyphenyl)-5-methyl-1,3-thiazol-2-yl]-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 16592826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).