2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide

C19H15Cl3N2O3S — CID 38640368

IUPAC2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)co2)cc1
InChIInChI=1S/C19H15Cl3N2O3S/c1-26-13-4-2-11(3-5-13)19-23-12(8-27-19)9-28-10-18(25)24-17-7-15(21)14(20)6-16(17)22/h2-8H,9-10H2,1H3,(H,24,25)
InChIKeyKBOVSTZOYINTDR-UHFFFAOYSA-N
MW457.77 g/mol
LogP6.18
Rot. Bonds7

About 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide

2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (PubChem CID 38640368) has the molecular formula C19H15Cl3N2O3S and a molecular weight of 457.77 g/mol. Its IUPAC name is 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
PubChem CID38640368
Molecular FormulaC19H15Cl3N2O3S
Molecular Weight457.77 g/mol
Exact Mass455.99
IUPAC Name2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide
SMILESCOc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)co2)cc1
InChIInChI=1S/C19H15Cl3N2O3S/c1-26-13-4-2-11(3-5-13)19-23-12(8-27-19)9-28-10-18(25)24-17-7-15(21)14(20)6-16(17)22/h2-8H,9-10H2,1H3,(H,24,25)
InChIKeyKBOVSTZOYINTDR-UHFFFAOYSA-N
XLogP6.18
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.77
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 38640316
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 38640450
N-[1-(4-chlorophenyl)ethyl]-2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]acetamide
CID 78850949
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 38640468
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 38639677
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(4-cyanophenyl)acetamide
CID 38639522
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-prop-2-enylacetamide
CID 38639607
N-(4-tert-butylphenyl)-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 55629856
[1-oxo-1-(2,4,5-trichloroanilino)propan-2-yl] 2-(2-phenyl-1,3-oxazol-4-yl)acetate
CID 55449244
4-(benzylsulfanylmethyl)-2-(4-methoxyphenyl)-1,3-oxazole
CID 55542268
N-[4-[3-(dimethylamino)propoxy]phenyl]-2-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]acetamide
CID 86898266
4-[(2-chlorophenyl)sulfanylmethyl]-2-(4-methoxyphenyl)-1,3-oxazole
CID 55538558

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The IUPAC name of 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide (CID 38640368) is 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide.
What is the SMILES notation for 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The canonical SMILES for 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is COc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)co2)cc1.
What is the InChIKey of 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
The InChIKey is KBOVSTZOYINTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3S/c1-26-13-4-2-11(3-5-13)19-23-12(8-27-19)9-28-10-18(25)24-17-7-15(21)14(20)6-16(17)22/h2-8H,9-10H2,1H3,(H,24,25).
What are the key properties of 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide?
2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide has a molecular weight of 457.77 g/mol, XLogP of 6.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methylsulfanyl]-N-(2,4,5-trichlorophenyl)acetamide is sourced from PubChem (CID 38640368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).