N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

C19H21N3O2S — CID 18117129

IUPACN-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(CN(C)C(=O)CCc2nc(-c3ccsc3)no2)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-13-4-5-15(14(2)10-13)11-22(3)18(23)7-6-17-20-19(21-24-17)16-8-9-25-12-16/h4-5,8-10,12H,6-7,11H2,1-3H3
InChIKeyRJWARNMSYRJVEO-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.01
Rot. Bonds6

About N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide

N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 18117129) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID18117129
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCc1ccc(CN(C)C(=O)CCc2nc(-c3ccsc3)no2)c(C)c1
InChIInChI=1S/C19H21N3O2S/c1-13-4-5-15(14(2)10-13)11-22(3)18(23)7-6-17-20-19(21-24-17)16-8-9-25-12-16/h4-5,8-10,12H,6-7,11H2,1-3H3
InChIKeyRJWARNMSYRJVEO-UHFFFAOYSA-N
XLogP4.01
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide (CID 18117129) is N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is Cc1ccc(CN(C)C(=O)CCc2nc(-c3ccsc3)no2)c(C)c1.
What is the InChIKey of N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is RJWARNMSYRJVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-13-4-5-15(14(2)10-13)11-22(3)18(23)7-6-17-20-19(21-24-17)16-8-9-25-12-16/h4-5,8-10,12H,6-7,11H2,1-3H3.
What are the key properties of N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 355.46 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 18117129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).