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

C16H29N3O2 — CID 116781360

IUPAC3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCOC1(c2noc(C(CC)C(C)N)n2)CCC(C)CC1
InChIInChI=1S/C16H29N3O2/c1-5-13(12(4)17)14-18-15(19-21-14)16(20-6-2)9-7-11(3)8-10-16/h11-13H,5-10,17H2,1-4H3
InChIKeyXIHMCKQCGIRSEW-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.35
Rot. Bonds6

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

3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (PubChem CID 116781360) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.

Molecular Properties

Compound Name3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
PubChem CID116781360
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
SMILESCCOC1(c2noc(C(CC)C(C)N)n2)CCC(C)CC1
InChIInChI=1S/C16H29N3O2/c1-5-13(12(4)17)14-18-15(19-21-14)16(20-6-2)9-7-11(3)8-10-16/h11-13H,5-10,17H2,1-4H3
InChIKeyXIHMCKQCGIRSEW-UHFFFAOYSA-N
XLogP3.35
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781319
1-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 116742600
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780409
3-[3-(4-ethoxyoxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 116780755
N-[[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-2-amine
CID 116742661
(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915562
(1S)-1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900379
1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 116741506
3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazole-5-carbaldehyde
CID 116780415
2-[3-(1-ethoxycycloheptyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781437
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The IUPAC name of 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine (CID 116781360) is 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine.
What is the SMILES notation for 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The canonical SMILES for 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is CCOC1(c2noc(C(CC)C(C)N)n2)CCC(C)CC1.
What is the InChIKey of 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
The InChIKey is XIHMCKQCGIRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-13(12(4)17)14-18-15(19-21-14)16(20-6-2)9-7-11(3)8-10-16/h11-13H,5-10,17H2,1-4H3.
What are the key properties of 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine?
3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine is sourced from PubChem (CID 116781360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).