N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C19H15N3O3S2 — CID 55896365

IUPACN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2cc(-c3cccs3)on2)n1
InChIInChI=1S/C19H15N3O3S2/c1-2-24-15-7-4-3-6-12(15)14-11-27-19(20-14)21-18(23)13-10-16(25-22-13)17-8-5-9-26-17/h3-11H,2H2,1H3,(H,20,21,23)
InChIKeyDYWGTELXWCBAFR-UHFFFAOYSA-N
MW397.48 g/mol
LogP5.18
Rot. Bonds6

About N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 55896365) has the molecular formula C19H15N3O3S2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID55896365
Molecular FormulaC19H15N3O3S2
Molecular Weight397.48 g/mol
Exact Mass397.06
IUPAC NameN-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCCOc1ccccc1-c1csc(NC(=O)c2cc(-c3cccs3)on2)n1
InChIInChI=1S/C19H15N3O3S2/c1-2-24-15-7-4-3-6-12(15)14-11-27-19(20-14)21-18(23)13-10-16(25-22-13)17-8-5-9-26-17/h3-11H,2H2,1H3,(H,20,21,23)
InChIKeyDYWGTELXWCBAFR-UHFFFAOYSA-N
XLogP5.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.48
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 735075
2-chloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194825
2,2-dichloro-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 19194831
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
3-(2-ethoxyphenyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 55381245
N-(4-cyclopropyl-1,3-thiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 32868562
3-(2,4-difluorophenyl)-N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-1-methylpyrazole-4-carboxamide
CID 86948216
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
CID 55895352
N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122304519
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-(2-ethoxyphenoxy)acetamide
CID 19196538
5-ethyl-N-[4-(2-fluorophenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 46969057
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(2,3,6-trimethylphenoxy)acetamide
CID 19196964

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 55896365) is N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is CCOc1ccccc1-c1csc(NC(=O)c2cc(-c3cccs3)on2)n1.
What is the InChIKey of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is DYWGTELXWCBAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3S2/c1-2-24-15-7-4-3-6-12(15)14-11-27-19(20-14)21-18(23)13-10-16(25-22-13)17-8-5-9-26-17/h3-11H,2H2,1H3,(H,20,21,23).
What are the key properties of N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 397.48 g/mol, XLogP of 5.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethoxyphenyl)-1,3-thiazol-2-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55896365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).