3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

C14H19N3O2S — CID 43109215

IUPAC3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCSCCC(N)c1nc(CCOc2ccccc2)no1
InChIInChI=1S/C14H19N3O2S/c1-20-10-8-12(15)14-16-13(17-19-14)7-9-18-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3
InChIKeyUMAQTBMQLCLRES-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.44
Rot. Bonds8

About 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine

3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (PubChem CID 43109215) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.

Molecular Properties

Compound Name3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
PubChem CID43109215
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
SMILESCSCCC(N)c1nc(CCOc2ccccc2)no1
InChIInChI=1S/C14H19N3O2S/c1-20-10-8-12(15)14-16-13(17-19-14)7-9-18-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3
InChIKeyUMAQTBMQLCLRES-UHFFFAOYSA-N
XLogP2.44
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The IUPAC name of 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine (CID 43109215) is 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine.
What is the SMILES notation for 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The canonical SMILES for 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is CSCCC(N)c1nc(CCOc2ccccc2)no1.
What is the InChIKey of 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
The InChIKey is UMAQTBMQLCLRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-20-10-8-12(15)14-16-13(17-19-14)7-9-18-11-5-3-2-4-6-11/h2-6,12H,7-10,15H2,1H3.
What are the key properties of 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine?
3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine has a molecular weight of 293.39 g/mol, XLogP of 2.44, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanyl-1-[3-(2-phenoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine is sourced from PubChem (CID 43109215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).