2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide

C16H11Cl3N2O2S — CID 24627985

IUPAC2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3N2O2S/c1-8-12(21-16(23-8)14-3-2-4-24-14)7-15(22)20-13-6-10(18)9(17)5-11(13)19/h2-6H,7H2,1H3,(H,20,22)
InChIKeyQVIKRYNIMZPUKS-UHFFFAOYSA-N
MW401.70 g/mol
LogP5.85
Rot. Bonds4

About 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide

2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 24627985) has the molecular formula C16H11Cl3N2O2S and a molecular weight of 401.70 g/mol. Its IUPAC name is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID24627985
Molecular FormulaC16H11Cl3N2O2S
Molecular Weight401.70 g/mol
Exact Mass399.96
IUPAC Name2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide
SMILESCc1oc(-c2cccs2)nc1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C16H11Cl3N2O2S/c1-8-12(21-16(23-8)14-3-2-4-24-14)7-15(22)20-13-6-10(18)9(17)5-11(13)19/h2-6H,7H2,1H3,(H,20,22)
InChIKeyQVIKRYNIMZPUKS-UHFFFAOYSA-N
XLogP5.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.70
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(3,4-dichlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31701072
N-(4-chloro-2-fluorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31938329
N-(4-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31780131
N-(5-chloro-2-methoxyphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31781054
N-(3-chlorophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 31779101
N-(2,5-dibromophenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 39166292
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
2-chloro-N-[2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]ethyl]benzamide
CID 55659288
N-(2,4-dimorpholin-4-ylphenyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627594
N-[(5-chlorothiophen-2-yl)methyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 32832937
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-(6-methyl-1,3-benzothiazol-2-yl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627491

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide (CID 24627985) is 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide is Cc1oc(-c2cccs2)nc1CC(=O)Nc1cc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is QVIKRYNIMZPUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2S/c1-8-12(21-16(23-8)14-3-2-4-24-14)7-15(22)20-13-6-10(18)9(17)5-11(13)19/h2-6H,7H2,1H3,(H,20,22).
What are the key properties of 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide?
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 401.70 g/mol, XLogP of 5.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 24627985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).