N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

C13H12Cl2N2O2S — CID 9457916

IUPACN-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)oc1C
InChIInChI=1S/C13H12Cl2N2O2S/c1-7-8(2)19-13(16-7)20-6-11(18)17-10-5-3-4-9(14)12(10)15/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyRYWPEOSOWVZZTM-UHFFFAOYSA-N
MW331.22 g/mol
LogP4.33
Rot. Bonds4

About N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide

N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (PubChem CID 9457916) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
PubChem CID9457916
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC NameN-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
SMILESCc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)oc1C
InChIInChI=1S/C13H12Cl2N2O2S/c1-7-8(2)19-13(16-7)20-6-11(18)17-10-5-3-4-9(14)12(10)15/h3-5H,6H2,1-2H3,(H,17,18)
InChIKeyRYWPEOSOWVZZTM-UHFFFAOYSA-N
XLogP4.33
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]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

2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2-ethylphenyl)acetamide
CID 6472287
N-(2,3-dichlorophenyl)-2-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7817054
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-(2,6-dimethylphenyl)acetamide
CID 9423677
N-(2,3-dichlorophenyl)-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 28564153
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9458380
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-phenylacetamide
CID 9456919
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 9458453
2-(2-chlorophenyl)sulfanyl-N-(2,3-dichlorophenyl)acetamide
CID 4001438
N-(2,3-dichlorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 7805664
N-(2,3-dichlorophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 966905
N-(2,3-dichlorophenyl)-2-[(6-methyl-3-oxo-2H-1,2,4-triazin-5-yl)sulfanyl]acetamide
CID 23605423
N-(2,3-dichlorophenyl)-2-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 92658744

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide (CID 9457916) is N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is Cc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)oc1C.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
The InChIKey is RYWPEOSOWVZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-7-8(2)19-13(16-7)20-6-11(18)17-10-5-3-4-9(14)12(10)15/h3-5H,6H2,1-2H3,(H,17,18).
What are the key properties of N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide?
N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide has a molecular weight of 331.22 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 9457916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).