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

C13H21N3O2 — CID 79526334

IUPAC[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1CCC(c2nc(C3CCCO3)no2)CC1
InChIInChI=1S/C13H21N3O2/c14-8-9-3-5-10(6-4-9)13-15-12(16-18-13)11-2-1-7-17-11/h9-11H,1-8,14H2
InChIKeyLTGJRCBATIDEBN-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.15
Rot. Bonds3

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

[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 79526334) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID79526334
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESNCC1CCC(c2nc(C3CCCO3)no2)CC1
InChIInChI=1S/C13H21N3O2/c14-8-9-3-5-10(6-4-9)13-15-12(16-18-13)11-2-1-7-17-11/h9-11H,1-8,14H2
InChIKeyLTGJRCBATIDEBN-UHFFFAOYSA-N
XLogP2.15
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65328340
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65331227
[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79525079
[4-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963876
[1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentyl]methanamine
CID 113309256
3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 131043141
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
[4-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]methanamine
CID 104963904
[4-[3-(3,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526331
3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893816
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65395750
2-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)morpholine
CID 103972025

Frequently Asked Questions

What is the IUPAC name of [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 79526334) is [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is NCC1CCC(c2nc(C3CCCO3)no2)CC1.
What is the InChIKey of [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is LTGJRCBATIDEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-8-9-3-5-10(6-4-9)13-15-12(16-18-13)11-2-1-7-17-11/h9-11H,1-8,14H2.
What are the key properties of [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 251.33 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 79526334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).