N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

C20H16N4O3S2 — CID 139582756

IUPACN-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1sc(NC(=O)c2cc(-c3ccc(C)cc3)on2)nc1-c1cccs1
InChIInChI=1S/C20H16N4O3S2/c1-11-5-7-13(8-6-11)15-10-14(24-27-15)18(26)23-20-22-17(16-4-3-9-28-16)19(29-20)21-12(2)25/h3-10H,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyOBNPLIJZBPCJGH-UHFFFAOYSA-N
MW424.51 g/mol
LogP5.05
Rot. Bonds5

About N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide

N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 139582756) has the molecular formula C20H16N4O3S2 and a molecular weight of 424.51 g/mol. Its IUPAC name is N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID139582756
Molecular FormulaC20H16N4O3S2
Molecular Weight424.51 g/mol
Exact Mass424.07
IUPAC NameN-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
SMILESCC(=O)Nc1sc(NC(=O)c2cc(-c3ccc(C)cc3)on2)nc1-c1cccs1
InChIInChI=1S/C20H16N4O3S2/c1-11-5-7-13(8-6-11)15-10-14(24-27-15)18(26)23-20-22-17(16-4-3-9-28-16)19(29-20)21-12(2)25/h3-10H,1-2H3,(H,21,25)(H,22,23,26)
InChIKeyOBNPLIJZBPCJGH-UHFFFAOYSA-N
XLogP5.05
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.51
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 29499210
5-methyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 17249187
N-(4,5-dithiophen-2-yl-1,3-thiazol-2-yl)-4-methylbenzamide
CID 7918509
N-(5-methyl-4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 861899
5-(4-methylphenyl)-N-[4-methyl-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,3-thiazol-2-yl]-1,2-oxazole-3-carboxamide
CID 39041608
N-(3-methylphenyl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 17011506
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-[3-[(5-methylpyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 131990203
5-(4-methylphenyl)-N-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17013473
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-(4-acetyl-1,3-thiazol-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 51262518
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122302836

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide (CID 139582756) is N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is CC(=O)Nc1sc(NC(=O)c2cc(-c3ccc(C)cc3)on2)nc1-c1cccs1.
What is the InChIKey of N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is OBNPLIJZBPCJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3S2/c1-11-5-7-13(8-6-11)15-10-14(24-27-15)18(26)23-20-22-17(16-4-3-9-28-16)19(29-20)21-12(2)25/h3-10H,1-2H3,(H,21,25)(H,22,23,26).
What are the key properties of N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide?
N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 424.51 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-4-thiophen-2-yl-1,3-thiazol-2-yl)-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 139582756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).