N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine

C11H19N3O2S — CID 79962578

IUPACN-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(C2CSCCO2)no1
InChIInChI=1S/C11H19N3O2S/c1-4-12-11(2,3)10-13-9(14-16-10)8-7-17-6-5-15-8/h8,12H,4-7H2,1-3H3
InChIKeyZUBKXCBVFWZBFS-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.72
Rot. Bonds4

About N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine

N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (PubChem CID 79962578) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
PubChem CID79962578
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
SMILESCCNC(C)(C)c1nc(C2CSCCO2)no1
InChIInChI=1S/C11H19N3O2S/c1-4-12-11(2,3)10-13-9(14-16-10)8-7-17-6-5-15-8/h8,12H,4-7H2,1-3H3
InChIKeyZUBKXCBVFWZBFS-UHFFFAOYSA-N
XLogP1.72
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The IUPAC name of N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine (CID 79962578) is N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine.
What is the SMILES notation for N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The canonical SMILES for N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is CCNC(C)(C)c1nc(C2CSCCO2)no1.
What is the InChIKey of N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
The InChIKey is ZUBKXCBVFWZBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-4-12-11(2,3)10-13-9(14-16-10)8-7-17-6-5-15-8/h8,12H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine?
N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine has a molecular weight of 257.36 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine is sourced from PubChem (CID 79962578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).