1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

C17H29N3O — CID 79841806

IUPAC1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESCC(C)(C)C1CCC(c2noc(CC3(N)CCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-16(2,3)13-7-5-12(6-8-13)15-19-14(21-20-15)11-17(18)9-4-10-17/h12-13H,4-11,18H2,1-3H3
InChIKeyHLUZCURZRSYSDH-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.81
Rot. Bonds3

About 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine

1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (PubChem CID 79841806) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
PubChem CID79841806
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESCC(C)(C)C1CCC(c2noc(CC3(N)CCC3)n2)CC1
InChIInChI=1S/C17H29N3O/c1-16(2,3)13-7-5-12(6-8-13)15-19-14(21-20-15)11-17(18)9-4-10-17/h12-13H,4-11,18H2,1-3H3
InChIKeyHLUZCURZRSYSDH-UHFFFAOYSA-N
XLogP3.81
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine with MolForge

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Related Compounds

1-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]cyclohexan-1-amine
CID 64673214
1-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845271
1-[[3-(1,1-dioxothiolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 115336055
1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-2-one
CID 65415674
3-(4-tert-butylcyclohexyl)-5-(3-chloropropyl)-1,2,4-oxadiazole
CID 65402223
3-(4-tert-butylcyclohexyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65401812
4-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 65412635
[1-[[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutyl]methanamine
CID 81164248
1-[[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 80620335
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxymethyl]cyclohexan-1-amine
CID 64571421
(1R)-1-[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 104904194
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (CID 79841806) is 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is CC(C)(C)C1CCC(c2noc(CC3(N)CCC3)n2)CC1.
What is the InChIKey of 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The InChIKey is HLUZCURZRSYSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-16(2,3)13-7-5-12(6-8-13)15-19-14(21-20-15)11-17(18)9-4-10-17/h12-13H,4-11,18H2,1-3H3.
What are the key properties of 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-tert-butylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 79841806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).