4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide

C21H19Cl2N3O3S — CID 30833269

IUPAC4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSCc2cc(-c3ccc(Cl)cc3Cl)no2)cc1
InChIInChI=1S/C21H19Cl2N3O3S/c1-26(2)21(28)13-3-6-15(7-4-13)24-20(27)12-30-11-16-10-19(25-29-16)17-8-5-14(22)9-18(17)23/h3-10H,11-12H2,1-2H3,(H,24,27)
InChIKeyDRFBMYIHZCWNGW-UHFFFAOYSA-N
MW464.37 g/mol
LogP5.22
Rot. Bonds7

About 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide

4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide (PubChem CID 30833269) has the molecular formula C21H19Cl2N3O3S and a molecular weight of 464.37 g/mol. Its IUPAC name is 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
PubChem CID30833269
Molecular FormulaC21H19Cl2N3O3S
Molecular Weight464.37 g/mol
Exact Mass463.05
IUPAC Name4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(NC(=O)CSCc2cc(-c3ccc(Cl)cc3Cl)no2)cc1
InChIInChI=1S/C21H19Cl2N3O3S/c1-26(2)21(28)13-3-6-15(7-4-13)24-20(27)12-30-11-16-10-19(25-29-16)17-8-5-14(22)9-18(17)23/h3-10H,11-12H2,1-2H3,(H,24,27)
InChIKeyDRFBMYIHZCWNGW-UHFFFAOYSA-N
XLogP5.22
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.37
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide with MolForge

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Related Compounds

2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 30833286
4-[[2-[(5-chloro-1,3-benzoxazol-2-yl)sulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 78761287
4-[3-(2,4-dichlorophenyl)propanoylamino]-N,N-dimethylbenzamide
CID 92851593
4-[[2-[2-(4-chlorophenoxy)ethylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide
CID 31543343
4-[[2-(4-chloro-2-methylanilino)acetyl]amino]-N,N-dimethylbenzamide
CID 26507194
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 7509050
4-[[2-[[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]sulfanyl]acetyl]amino]benzoic acid
CID 134065444
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]-N-(4-methylphenyl)acetamide
CID 50759800
(2R)-2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 30833272
2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]-N-(2,6-difluorophenyl)propanamide
CID 43058159
N,N'-bis[4-(dimethylcarbamoyl)phenyl]propanediamide
CID 17368155
5-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-3-(2,4-dichlorophenyl)-1,2-oxazole
CID 30764881

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide (CID 30833269) is 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(NC(=O)CSCc2cc(-c3ccc(Cl)cc3Cl)no2)cc1.
What is the InChIKey of 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
The InChIKey is DRFBMYIHZCWNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N3O3S/c1-26(2)21(28)13-3-6-15(7-4-13)24-20(27)12-30-11-16-10-19(25-29-16)17-8-5-14(22)9-18(17)23/h3-10H,11-12H2,1-2H3,(H,24,27).
What are the key properties of 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide?
4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide has a molecular weight of 464.37 g/mol, XLogP of 5.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanyl]acetyl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 30833269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).