1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

C12H19N3O2S — CID 79968588

IUPAC1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(Cc1nc(C2CSCCO2)no1)C1CC1
InChIInChI=1S/C12H19N3O2S/c1-13-9(8-2-3-8)6-11-14-12(15-17-11)10-7-18-5-4-16-10/h8-10,13H,2-7H2,1H3
InChIKeyMNZVQAVDKNEJKP-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.41
Rot. Bonds5

About 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine

1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (PubChem CID 79968588) has the molecular formula C12H19N3O2S and a molecular weight of 269.37 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
PubChem CID79968588
Molecular FormulaC12H19N3O2S
Molecular Weight269.37 g/mol
Exact Mass269.12
IUPAC Name1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
SMILESCNC(Cc1nc(C2CSCCO2)no1)C1CC1
InChIInChI=1S/C12H19N3O2S/c1-13-9(8-2-3-8)6-11-14-12(15-17-11)10-7-18-5-4-16-10/h8-10,13H,2-7H2,1H3
InChIKeyMNZVQAVDKNEJKP-UHFFFAOYSA-N
XLogP1.41
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The IUPAC name of 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine (CID 79968588) is 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is CNC(Cc1nc(C2CSCCO2)no1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
The InChIKey is MNZVQAVDKNEJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2S/c1-13-9(8-2-3-8)6-11-14-12(15-17-11)10-7-18-5-4-16-10/h8-10,13H,2-7H2,1H3.
What are the key properties of 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine?
1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine has a molecular weight of 269.37 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-2-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine is sourced from PubChem (CID 79968588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).