2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine

C16H29N3O2 — CID 116743617

IUPAC2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc(C(OCC)C2CCCCC2)no1
InChIInChI=1S/C16H29N3O2/c1-4-17-11-12(3)16-18-15(19-21-16)14(20-5-2)13-9-7-6-8-10-13/h12-14,17H,4-11H2,1-3H3
InChIKeyXPEFNNFDTQVKKK-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.44
Rot. Bonds8

About 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine

2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine (PubChem CID 116743617) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
PubChem CID116743617
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc(C(OCC)C2CCCCC2)no1
InChIInChI=1S/C16H29N3O2/c1-4-17-11-12(3)16-18-15(19-21-16)14(20-5-2)13-9-7-6-8-10-13/h12-14,17H,4-11H2,1-3H3
InChIKeyXPEFNNFDTQVKKK-UHFFFAOYSA-N
XLogP3.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743615
3-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781474
2-amino-1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 116743620
3-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780534
(1S)-1-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901845
3-[cyclohexyl(ethoxy)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116743568
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-methylbutanenitrile
CID 106527029
2-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-propylpentan-3-amine
CID 116733496
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116781451
3-[cyclohexyl(ethoxy)methyl]-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912102
3-[cyclohexyl(ethoxy)methyl]-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912103
3-[cyclohexyl(ethoxy)methyl]-5-piperidin-3-yl-1,2,4-oxadiazole
CID 116743600

Frequently Asked Questions

What is the IUPAC name of 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The IUPAC name of 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine (CID 116743617) is 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine is CCNCC(C)c1nc(C(OCC)C2CCCCC2)no1.
What is the InChIKey of 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The InChIKey is XPEFNNFDTQVKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-4-17-11-12(3)16-18-15(19-21-16)14(20-5-2)13-9-7-6-8-10-13/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine has a molecular weight of 295.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 116743617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).