N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine

C15H19N3OS — CID 166249394

IUPACN-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine
SMILESCC(NC1CCCC12CC2)c1nc(-c2cccs2)no1
InChIInChI=1S/C15H19N3OS/c1-10(16-12-5-2-6-15(12)7-8-15)14-17-13(18-19-14)11-4-3-9-20-11/h3-4,9-10,12,16H,2,5-8H2,1H3
InChIKeyRYEMSBJUBSPQFW-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.78
Rot. Bonds4

About N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine

N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine (PubChem CID 166249394) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine.

Molecular Properties

Compound NameN-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine
PubChem CID166249394
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine
SMILESCC(NC1CCCC12CC2)c1nc(-c2cccs2)no1
InChIInChI=1S/C15H19N3OS/c1-10(16-12-5-2-6-15(12)7-8-15)14-17-13(18-19-14)11-4-3-9-20-11/h3-4,9-10,12,16H,2,5-8H2,1H3
InChIKeyRYEMSBJUBSPQFW-UHFFFAOYSA-N
XLogP3.78
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine?
The IUPAC name of N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine (CID 166249394) is N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine.
What is the SMILES notation for N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine?
The canonical SMILES for N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine is CC(NC1CCCC12CC2)c1nc(-c2cccs2)no1.
What is the InChIKey of N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine?
The InChIKey is RYEMSBJUBSPQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-10(16-12-5-2-6-15(12)7-8-15)14-17-13(18-19-14)11-4-3-9-20-11/h3-4,9-10,12,16H,2,5-8H2,1H3.
What are the key properties of N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine?
N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine has a molecular weight of 289.40 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]spiro[2.4]heptan-7-amine is sourced from PubChem (CID 166249394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).