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

C13H21N3O2 — CID 106483485

IUPAC2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C13H21N3O2/c14-11-4-2-1-3-9(11)7-12-15-13(16-18-12)10-5-6-17-8-10/h9-11H,1-8,14H2
InChIKeyZXSWENODLNVEKE-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.63
Rot. Bonds3

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

2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483485) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483485
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESNC1CCCCC1Cc1nc(C2CCOC2)no1
InChIInChI=1S/C13H21N3O2/c14-11-4-2-1-3-9(11)7-12-15-13(16-18-12)10-5-6-17-8-10/h9-11H,1-8,14H2
InChIKeyZXSWENODLNVEKE-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483412
5-(oxan-2-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 119163349
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483482
2-methyl-1-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65330336
5-(2-cyclohexylethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97436910
5-(azepan-4-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842324
1-cyclopropyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 65329569
6-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]hexan-1-amine
CID 65330439
3-(oxolan-3-yl)-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 120842315
5-(2,3-dihydro-1H-inden-2-ylmethyl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97456867
2-[[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483591
3-(oxolan-3-yl)-5-[(2,2,6,6-tetramethylpiperidin-4-yl)methyl]-1,2,4-oxadiazole
CID 72934366

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483485) is 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is NC1CCCCC1Cc1nc(C2CCOC2)no1.
What is the InChIKey of 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is ZXSWENODLNVEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-11-4-2-1-3-9(11)7-12-15-13(16-18-12)10-5-6-17-8-10/h9-11H,1-8,14H2.
What are the key properties of 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).