1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine

C12H19N3O2 — CID 104633796

IUPAC1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
SMILESCOCC(N)c1noc(C2C3CCCCC32)n1
InChIInChI=1S/C12H19N3O2/c1-16-6-9(13)11-14-12(17-15-11)10-7-4-2-3-5-8(7)10/h7-10H,2-6,13H2,1H3
InChIKeyFTCIBWKOWJKWRY-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.62
Rot. Bonds4

About 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine

1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine (PubChem CID 104633796) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine.

Molecular Properties

Compound Name1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
PubChem CID104633796
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
SMILESCOCC(N)c1noc(C2C3CCCCC32)n1
InChIInChI=1S/C12H19N3O2/c1-16-6-9(13)11-14-12(17-15-11)10-7-4-2-3-5-8(7)10/h7-10H,2-6,13H2,1H3
InChIKeyFTCIBWKOWJKWRY-UHFFFAOYSA-N
XLogP1.62
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine with MolForge

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Related Compounds

1-[5-(6-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634579
1-[5-(3-bicyclo[3.1.0]hexanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633756
2-methoxy-1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104633520
2-methoxy-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 102547892
2-methoxy-1-(5-methoxy-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633601
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
1-[5-(1,1-dioxothian-2-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 104634466
2-cyclobutyloxy-1-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634860
2-ethoxy-1-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 104634069
2-methoxy-1-(5-pentan-2-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104633817
1-[5-(2-methyloxolan-3-yl)-1,2,4-oxadiazol-3-yl]-2-propoxyethanamine
CID 113435494
5-(7-bicyclo[4.1.0]heptanyl)-3-tert-butyl-1,2,4-oxadiazole
CID 102559233

Frequently Asked Questions

What is the IUPAC name of 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The IUPAC name of 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine (CID 104633796) is 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine.
What is the SMILES notation for 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The canonical SMILES for 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine is COCC(N)c1noc(C2C3CCCCC32)n1.
What is the InChIKey of 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
The InChIKey is FTCIBWKOWJKWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-16-6-9(13)11-14-12(17-15-11)10-7-4-2-3-5-8(7)10/h7-10H,2-6,13H2,1H3.
What are the key properties of 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine?
1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine has a molecular weight of 237.30 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(7-bicyclo[4.1.0]heptanyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine is sourced from PubChem (CID 104633796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).