3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine

C12H13Cl2N3O3S — CID 167780415

IUPAC3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine
SMILESCN(CCS(C)(=O)=O)c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C12H13Cl2N3O3S/c1-17(3-4-21(2,18)19)12-15-11(16-20-12)8-5-9(13)7-10(14)6-8/h5-7H,3-4H2,1-2H3
InChIKeyJLNKHMNYZBECHI-UHFFFAOYSA-N
MW350.23 g/mol
LogP2.52
Rot. Bonds5

About 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine

3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 167780415) has the molecular formula C12H13Cl2N3O3S and a molecular weight of 350.23 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine
PubChem CID167780415
Molecular FormulaC12H13Cl2N3O3S
Molecular Weight350.23 g/mol
Exact Mass349.01
IUPAC Name3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine
SMILESCN(CCS(C)(=O)=O)c1nc(-c2cc(Cl)cc(Cl)c2)no1
InChIInChI=1S/C12H13Cl2N3O3S/c1-17(3-4-21(2,18)19)12-15-11(16-20-12)8-5-9(13)7-10(14)6-8/h5-7H,3-4H2,1-2H3
InChIKeyJLNKHMNYZBECHI-UHFFFAOYSA-N
XLogP2.52
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.23
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine with MolForge

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Related Compounds

3-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-methylamino]propanenitrile
CID 133381650
3-(3,5-dichlorophenyl)-N-methyl-N-piperidin-4-yl-1,2,4-oxadiazol-5-amine
CID 154864882
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-ethylamino]-N-propan-2-ylacetamide
CID 133382176
3-(3-chlorophenyl)-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 133463386
2-chloro-6-[methyl(2-methylsulfonylethyl)amino]pyridine-4-carboxylic acid
CID 79858550
6-chloro-N-methyl-N-(2-methylsulfonylethyl)pyridin-2-amine
CID 79864794
2-N-methyl-2-N-(2-methylsulfonylethyl)-1,3-benzoxazole-2,6-diamine
CID 79892602
ethyl 3-(3,5-dichlorophenyl)-1,2,4-oxadiazole-5-carboxylate
CID 107917947
5-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]-4-ethyl-1,3-thiazol-2-amine
CID 97058126
3-(4-chlorophenyl)-N,N-dipropyl-1,2,4-oxadiazol-5-amine
CID 123812806
1-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 102548765
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-methylsulfonylpropanamide
CID 110632229

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine (CID 167780415) is 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine is CN(CCS(C)(=O)=O)c1nc(-c2cc(Cl)cc(Cl)c2)no1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is JLNKHMNYZBECHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N3O3S/c1-17(3-4-21(2,18)19)12-15-11(16-20-12)8-5-9(13)7-10(14)6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine?
3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 350.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-N-methyl-N-(2-methylsulfonylethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 167780415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).