5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

C13H19N3O2S — CID 116702712

IUPAC5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCCC(OC)c1noc(-c2cc(CC)sc2N)n1
InChIInChI=1S/C13H19N3O2S/c1-4-6-10(17-3)12-15-13(18-16-12)9-7-8(5-2)19-11(9)14/h7,10H,4-6,14H2,1-3H3
InChIKeySMXHIUGBCWTXPV-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.43
Rot. Bonds6

About 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine

5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (PubChem CID 116702712) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.

Molecular Properties

Compound Name5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
PubChem CID116702712
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
SMILESCCCC(OC)c1noc(-c2cc(CC)sc2N)n1
InChIInChI=1S/C13H19N3O2S/c1-4-6-10(17-3)12-15-13(18-16-12)9-7-8(5-2)19-11(9)14/h7,10H,4-6,14H2,1-3H3
InChIKeySMXHIUGBCWTXPV-UHFFFAOYSA-N
XLogP3.43
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The IUPAC name of 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine (CID 116702712) is 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine.
What is the SMILES notation for 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The canonical SMILES for 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is CCCC(OC)c1noc(-c2cc(CC)sc2N)n1.
What is the InChIKey of 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
The InChIKey is SMXHIUGBCWTXPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-4-6-10(17-3)12-15-13(18-16-12)9-7-8(5-2)19-11(9)14/h7,10H,4-6,14H2,1-3H3.
What are the key properties of 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine?
5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine has a molecular weight of 281.38 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine is sourced from PubChem (CID 116702712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).