[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine

C12H19N3O2 — CID 165491300

IUPAC[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
SMILESCC1(c2nc(C3CCC(CN)O3)no2)CCC1
InChIInChI=1S/C12H19N3O2/c1-12(5-2-6-12)11-14-10(15-17-11)9-4-3-8(7-13)16-9/h8-9H,2-7,13H2,1H3
InChIKeyAMTBIVXVUUQPFC-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds3

About [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine

[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine (PubChem CID 165491300) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
PubChem CID165491300
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
SMILESCC1(c2nc(C3CCC(CN)O3)no2)CCC1
InChIInChI=1S/C12H19N3O2/c1-12(5-2-6-12)11-14-10(15-17-11)9-4-3-8(7-13)16-9/h8-9H,2-7,13H2,1H3
InChIKeyAMTBIVXVUUQPFC-UHFFFAOYSA-N
XLogP1.69
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[5-(3-ethoxypropyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine
CID 165498728
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
[5-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine;hydrochloride
CID 128964535
2-[5-(1-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 106828748
[5-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]oxolan-2-yl]methanamine
CID 116741356
2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 131154498
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106828730
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 113309256
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845

Frequently Asked Questions

What is the IUPAC name of [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine?
The IUPAC name of [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine (CID 165491300) is [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine.
What is the SMILES notation for [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine?
The canonical SMILES for [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine is CC1(c2nc(C3CCC(CN)O3)no2)CCC1.
What is the InChIKey of [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine?
The InChIKey is AMTBIVXVUUQPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(5-2-6-12)11-14-10(15-17-11)9-4-3-8(7-13)16-9/h8-9H,2-7,13H2,1H3.
What are the key properties of [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine?
[5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine has a molecular weight of 237.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]oxolan-2-yl]methanamine is sourced from PubChem (CID 165491300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).