3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine

C9H15N3O2 — CID 118608842

IUPAC3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine
SMILESCO[C@H](C)c1nnc(C2CC(N)C2)o1
InChIInChI=1S/C9H15N3O2/c1-5(13-2)8-11-12-9(14-8)6-3-7(10)4-6/h5-7H,3-4,10H2,1-2H3/t5-,6?,7?/m1/s1
InChIKeyIKNFMYHEUISAHD-GRQBKTHUSA-N
MW197.24 g/mol
LogP0.98
Rot. Bonds3

About 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine

3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine (PubChem CID 118608842) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine
PubChem CID118608842
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine
SMILESCO[C@H](C)c1nnc(C2CC(N)C2)o1
InChIInChI=1S/C9H15N3O2/c1-5(13-2)8-11-12-9(14-8)6-3-7(10)4-6/h5-7H,3-4,10H2,1-2H3/t5-,6?,7?/m1/s1
InChIKeyIKNFMYHEUISAHD-GRQBKTHUSA-N
XLogP0.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine (CID 118608842) is 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine is CO[C@H](C)c1nnc(C2CC(N)C2)o1.
What is the InChIKey of 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine?
The InChIKey is IKNFMYHEUISAHD-GRQBKTHUSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-5(13-2)8-11-12-9(14-8)6-3-7(10)4-6/h5-7H,3-4,10H2,1-2H3/t5-,6?,7?/m1/s1.
What are the key properties of 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine?
3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(1R)-1-methoxyethyl]-1,3,4-oxadiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 118608842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).