(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

C15H27N3O — CID 107144988

IUPAC(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC[C@H](N)c1nc(C2CCC(CC)CC2)no1
InChIInChI=1S/C15H27N3O/c1-3-5-6-13(16)15-17-14(18-19-15)12-9-7-11(4-2)8-10-12/h11-13H,3-10,16H2,1-2H3/t11?,12?,13-/m0/s1
InChIKeyYQRAXLVYWIVYKH-BPCQOVAHSA-N
MW265.40 g/mol
LogP3.94
Rot. Bonds6

About (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine

(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (PubChem CID 107144988) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.

Molecular Properties

Compound Name(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
PubChem CID107144988
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
SMILESCCCC[C@H](N)c1nc(C2CCC(CC)CC2)no1
InChIInChI=1S/C15H27N3O/c1-3-5-6-13(16)15-17-14(18-19-15)12-9-7-11(4-2)8-10-12/h11-13H,3-10,16H2,1-2H3/t11?,12?,13-/m0/s1
InChIKeyYQRAXLVYWIVYKH-BPCQOVAHSA-N
XLogP3.94
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 65395345
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81085874
(1S)-1-[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145004
(1S)-2-cyclopropyl-1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 112734867
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65393257
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565388
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 104880772
3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837002
(1S)-3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837001
1-[3-(3-methylcyclopentyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65402444
1-[3-(3-ethylcyclopentyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 65414702
(1S)-1-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107145003

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The IUPAC name of (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine (CID 107144988) is (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine.
What is the SMILES notation for (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The canonical SMILES for (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is CCCC[C@H](N)c1nc(C2CCC(CC)CC2)no1.
What is the InChIKey of (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
The InChIKey is YQRAXLVYWIVYKH-BPCQOVAHSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-5-6-13(16)15-17-14(18-19-15)12-9-7-11(4-2)8-10-12/h11-13H,3-10,16H2,1-2H3/t11?,12?,13-/m0/s1.
What are the key properties of (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine?
(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine is sourced from PubChem (CID 107144988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).