1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

C13H21N3O2 — CID 81327799

IUPAC1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC1CCC(c2nc(C3(N)CCCCC3)no2)O1
InChIInChI=1S/C13H21N3O2/c1-9-5-6-10(17-9)11-15-12(16-18-11)13(14)7-3-2-4-8-13/h9-10H,2-8,14H2,1H3
InChIKeyJQGUVRLAGHOSGV-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.43
Rot. Bonds2

About 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine

1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (PubChem CID 81327799) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
PubChem CID81327799
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
SMILESCC1CCC(c2nc(C3(N)CCCCC3)no2)O1
InChIInChI=1S/C13H21N3O2/c1-9-5-6-10(17-9)11-15-12(16-18-11)13(14)7-3-2-4-8-13/h9-10H,2-8,14H2,1H3
InChIKeyJQGUVRLAGHOSGV-UHFFFAOYSA-N
XLogP2.43
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclopentan-1-amine
CID 55091396
1-(5-cycloheptyl-1,2,4-oxadiazol-3-yl)cyclohexan-1-amine
CID 62589652
[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]methanamine
CID 81327285
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-4-methylcyclohexan-1-amine
CID 61354523
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)cyclopropan-1-amine;hydrochloride
CID 67390539
1-[5-(thiolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120855602
1-[5-[2-(5-methyloxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120861670
4-methyl-1-[5-(2-methylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61354121
1-[5-(2,3-dihydro-1-benzofuran-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61351721
3-methyl-1-[5-(oxan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 55048048
3-tert-butyl-5-(5-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 128973234
1-[5-(2-cyclohexylcyclopropyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862372

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The IUPAC name of 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine (CID 81327799) is 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is CC1CCC(c2nc(C3(N)CCCCC3)no2)O1.
What is the InChIKey of 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
The InChIKey is JQGUVRLAGHOSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9-5-6-10(17-9)11-15-12(16-18-11)13(14)7-3-2-4-8-13/h9-10H,2-8,14H2,1H3.
What are the key properties of 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine?
1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-methyloxolan-2-yl)-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine is sourced from PubChem (CID 81327799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).