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

C12H19N3O2 — CID 113309256

IUPAC[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(C3CCCO3)no2)CCCC1
InChIInChI=1S/C12H19N3O2/c13-8-12(5-1-2-6-12)11-14-10(15-17-11)9-4-3-7-16-9/h9H,1-8,13H2
InChIKeyVAHYORHAAOWTQS-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.69
Rot. Bonds3

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

[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (PubChem CID 113309256) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
PubChem CID113309256
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
SMILESNCC1(c2nc(C3CCCO3)no2)CCCC1
InChIInChI=1S/C12H19N3O2/c13-8-12(5-1-2-6-12)11-14-10(15-17-11)9-4-3-7-16-9/h9H,1-8,13H2
InChIKeyVAHYORHAAOWTQS-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-(3-ethylpiperidin-3-yl)-3-(oxolan-2-yl)-1,2,4-oxadiazole
CID 65331500
[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine;hydrochloride
CID 119948065
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
[1-[[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexyl]methanamine
CID 65330933
[1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 115433782
[1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropyl]methanamine
CID 115450845
[4-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-yl]methanamine
CID 115440178
[1-[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 113311272
2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971782
[1-[3-(dicyclopropylmethyl)-1,2,4-oxadiazol-5-yl]cyclobutyl]methanamine
CID 112743548
[1-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopropyl]methanamine
CID 115450992
3-(oxan-2-yl)-5-(1-phenylcyclopropyl)-1,2,4-oxadiazole
CID 154783131

Frequently Asked Questions

What is the IUPAC name of [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The IUPAC name of [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine (CID 113309256) is [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine.
What is the SMILES notation for [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The canonical SMILES for [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is NCC1(c2nc(C3CCCO3)no2)CCCC1.
What is the InChIKey of [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
The InChIKey is VAHYORHAAOWTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-12(5-1-2-6-12)11-14-10(15-17-11)9-4-3-7-16-9/h9H,1-8,13H2.
What are the key properties of [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine?
[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]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 [1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine is sourced from PubChem (CID 113309256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).