1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine

C8H13N3O2 — CID 81077764

IUPAC1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
SMILESCOCC(N)c1nc(C2CC2)no1
InChIInChI=1S/C8H13N3O2/c1-12-4-6(9)8-10-7(11-13-8)5-2-3-5/h5-6H,2-4,9H2,1H3
InChIKeyVAXFQCITLCWBLI-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.59
Rot. Bonds4

About 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine

1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine (PubChem CID 81077764) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine.

Molecular Properties

Compound Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
PubChem CID81077764
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
SMILESCOCC(N)c1nc(C2CC2)no1
InChIInChI=1S/C8H13N3O2/c1-12-4-6(9)8-10-7(11-13-8)5-2-3-5/h5-6H,2-4,9H2,1H3
InChIKeyVAXFQCITLCWBLI-UHFFFAOYSA-N
XLogP0.59
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81085874
2-methoxy-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 81085041
(1R)-1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915347
1-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 115385390
1-[3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81084258
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine
CID 106109161
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65395345
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904194

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine?
The IUPAC name of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine (CID 81077764) is 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine.
What is the SMILES notation for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine?
The canonical SMILES for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine is COCC(N)c1nc(C2CC2)no1.
What is the InChIKey of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine?
The InChIKey is VAXFQCITLCWBLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-12-4-6(9)8-10-7(11-13-8)5-2-3-5/h5-6H,2-4,9H2,1H3.
What are the key properties of 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine?
1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine has a molecular weight of 183.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methoxyethanamine is sourced from PubChem (CID 81077764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).