(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine

C14H25N3O — CID 114264506

IUPAC(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine
SMILESCC(C)(C)c1noc([C@H](N)CC2CCCCC2)n1
InChIInChI=1S/C14H25N3O/c1-14(2,3)13-16-12(18-17-13)11(15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3/t11-/m1/s1
InChIKeyUSUXBFSRARBCRO-LLVKDONJSA-N
MW251.37 g/mol
LogP3.34
Rot. Bonds3

About (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine

(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine (PubChem CID 114264506) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine.

Molecular Properties

Compound Name(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine
PubChem CID114264506
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine
SMILESCC(C)(C)c1noc([C@H](N)CC2CCCCC2)n1
InChIInChI=1S/C14H25N3O/c1-14(2,3)13-16-12(18-17-13)11(15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3/t11-/m1/s1
InChIKeyUSUXBFSRARBCRO-LLVKDONJSA-N
XLogP3.34
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclohexyl-1-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 114264511
(3-tert-butyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 54901778
1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-3-methylbutan-1-amine
CID 43099581
2-cyclopropyl-1-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112735076
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
2-amino-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethanol
CID 66167315
1-(4-tert-butylthiadiazol-5-yl)-2-cyclohexylethanamine
CID 105135537
[1-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 56812956
3-tert-butyl-5-[(1S)-1-[4-[[(2R)-1-methylpiperidin-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95318424
2-cyclopropyl-1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine
CID 82413784
2-cyclohexyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 115858431

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine?
The IUPAC name of (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine (CID 114264506) is (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine.
What is the SMILES notation for (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine?
The canonical SMILES for (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine is CC(C)(C)c1noc([C@H](N)CC2CCCCC2)n1.
What is the InChIKey of (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine?
The InChIKey is USUXBFSRARBCRO-LLVKDONJSA-N. The full InChI is InChI=1S/C14H25N3O/c1-14(2,3)13-16-12(18-17-13)11(15)9-10-7-5-4-6-8-10/h10-11H,4-9,15H2,1-3H3/t11-/m1/s1.
What are the key properties of (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine?
(1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine has a molecular weight of 251.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-cyclohexylethanamine is sourced from PubChem (CID 114264506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).