cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine

C11H17N3O2 — CID 116701306

IUPACcyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOC1(c2noc(C(N)C3CC3)n2)CCC1
InChIInChI=1S/C11H17N3O2/c1-15-11(5-2-6-11)10-13-9(16-14-10)8(12)7-3-4-7/h7-8H,2-6,12H2,1H3
InChIKeyWXRHHUSMTRKPST-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.50
Rot. Bonds4

About cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine

cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 116701306) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Namecyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID116701306
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namecyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCOC1(c2noc(C(N)C3CC3)n2)CCC1
InChIInChI=1S/C11H17N3O2/c1-15-11(5-2-6-11)10-13-9(16-14-10)8(12)7-3-4-7/h7-8H,2-6,12H2,1H3
InChIKeyWXRHHUSMTRKPST-UHFFFAOYSA-N
XLogP1.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-amino-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116701498
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
(S)-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898800
1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]but-3-yn-1-amine
CID 116701304
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 116741786
2-methoxy-2-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109357
(1S)-1-[3-(4-methoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899927
(1R)-1-[3-(1-methoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899717
(1R)-1-[3-(1-methoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899713
ethyl 2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 116704706

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 116701306) is cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine is COC1(c2noc(C(N)C3CC3)n2)CCC1.
What is the InChIKey of cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is WXRHHUSMTRKPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-15-11(5-2-6-11)10-13-9(16-14-10)8(12)7-3-4-7/h7-8H,2-6,12H2,1H3.
What are the key properties of cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine?
cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 223.28 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 116701306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).