2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide

C15H19N3O3S — CID 87033665

IUPAC2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide
SMILESCOc1ccc(-c2nc(CSC(C)C(=O)N(C)C)no2)cc1
InChIInChI=1S/C15H19N3O3S/c1-10(15(19)18(2)3)22-9-13-16-14(21-17-13)11-5-7-12(20-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyOAERLBYXTLMFKR-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.46
Rot. Bonds6

About 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide

2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide (PubChem CID 87033665) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide
PubChem CID87033665
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide
SMILESCOc1ccc(-c2nc(CSC(C)C(=O)N(C)C)no2)cc1
InChIInChI=1S/C15H19N3O3S/c1-10(15(19)18(2)3)22-9-13-16-14(21-17-13)11-5-7-12(20-4)8-6-11/h5-8,10H,9H2,1-4H3
InChIKeyOAERLBYXTLMFKR-UHFFFAOYSA-N
XLogP2.46
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide (CID 87033665) is 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide is COc1ccc(-c2nc(CSC(C)C(=O)N(C)C)no2)cc1.
What is the InChIKey of 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide?
The InChIKey is OAERLBYXTLMFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-10(15(19)18(2)3)22-9-13-16-14(21-17-13)11-5-7-12(20-4)8-6-11/h5-8,10H,9H2,1-4H3.
What are the key properties of 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide?
2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide has a molecular weight of 321.40 g/mol, XLogP of 2.46, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]-N,N-dimethylpropanamide is sourced from PubChem (CID 87033665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).