4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

C13H23N3O — CID 55202626

IUPAC4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)CCc1nc(C2CCC(C)CC2)no1
InChIInChI=1S/C13H23N3O/c1-9-3-6-11(7-4-9)13-15-12(17-16-13)8-5-10(2)14/h9-11H,3-8,14H2,1-2H3
InChIKeyMVMZLSNZPQKGFA-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.64
Rot. Bonds4

About 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine

4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (PubChem CID 55202626) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.

Molecular Properties

Compound Name4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
PubChem CID55202626
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
SMILESCC(N)CCc1nc(C2CCC(C)CC2)no1
InChIInChI=1S/C13H23N3O/c1-9-3-6-11(7-4-9)13-15-12(17-16-13)8-5-10(2)14/h9-11H,3-8,14H2,1-2H3
InChIKeyMVMZLSNZPQKGFA-UHFFFAOYSA-N
XLogP2.64
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348149
3-methyl-5-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65402845
2-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072757
5-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 82845855
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 107924606
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072758
1-[3-(4-propylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 65423654
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 65401192
5-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-3-methylpentan-1-amine
CID 65393884
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylbutan-2-amine
CID 64986076
3,3-dimethyl-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349828
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483412

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The IUPAC name of 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine (CID 55202626) is 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine.
What is the SMILES notation for 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The canonical SMILES for 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is CC(N)CCc1nc(C2CCC(C)CC2)no1.
What is the InChIKey of 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
The InChIKey is MVMZLSNZPQKGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-3-6-11(7-4-9)13-15-12(17-16-13)8-5-10(2)14/h9-11H,3-8,14H2,1-2H3.
What are the key properties of 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine?
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine is sourced from PubChem (CID 55202626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).