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

C17H31N3O — CID 63350270

IUPAC3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(C2CCCC(C)C2)no1
InChIInChI=1S/C17H31N3O/c1-5-10-18-13(4)15(6-2)17-19-16(20-21-17)14-9-7-8-12(3)11-14/h12-15,18H,5-11H2,1-4H3
InChIKeyURKGQFHFXXPXMG-UHFFFAOYSA-N
MW293.46 g/mol
LogP4.24
Rot. Bonds7

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

3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (PubChem CID 63350270) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
PubChem CID63350270
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine
SMILESCCCNC(C)C(CC)c1nc(C2CCCC(C)C2)no1
InChIInChI=1S/C17H31N3O/c1-5-10-18-13(4)15(6-2)17-19-16(20-21-17)14-9-7-8-12(3)11-14/h12-15,18H,5-11H2,1-4H3
InChIKeyURKGQFHFXXPXMG-UHFFFAOYSA-N
XLogP4.24
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350269
2-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-3-ol
CID 63560469
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80540163
(1S)-2-amino-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 107836809
N-[[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 65401429
3-(3-methylcyclohexyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
CID 62595230
3-[3-(4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylbutan-2-amine
CID 65389298
N-methyl-3-[3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 115998544
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
N-ethyl-1-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 63350316
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The IUPAC name of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine (CID 63350270) is 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine.
What is the SMILES notation for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The canonical SMILES for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is CCCNC(C)C(CC)c1nc(C2CCCC(C)C2)no1.
What is the InChIKey of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
The InChIKey is URKGQFHFXXPXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-5-10-18-13(4)15(6-2)17-19-16(20-21-17)14-9-7-8-12(3)11-14/h12-15,18H,5-11H2,1-4H3.
What are the key properties of 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine?
3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine has a molecular weight of 293.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-propylpentan-2-amine is sourced from PubChem (CID 63350270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).