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

C16H29N3O2 — CID 116781451

IUPAC3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(C(OC)C2CCCCC2)no1)C(C)NC
InChIInChI=1S/C16H29N3O2/c1-5-13(11(2)17-3)16-18-15(19-21-16)14(20-4)12-9-7-6-8-10-12/h11-14,17H,5-10H2,1-4H3
InChIKeyINSHFZSKTMSUEB-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.44
Rot. Bonds7

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

3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (PubChem CID 116781451) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
PubChem CID116781451
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
SMILESCCC(c1nc(C(OC)C2CCCCC2)no1)C(C)NC
InChIInChI=1S/C16H29N3O2/c1-5-13(11(2)17-3)16-18-15(19-21-16)14(20-4)12-9-7-6-8-10-12/h11-14,17H,5-10H2,1-4H3
InChIKeyINSHFZSKTMSUEB-UHFFFAOYSA-N
XLogP3.44
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733062
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781447
3-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781474
3-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116733235
1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743615
1-amino-1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116743520
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116743548
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116743511
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743468
N-[[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]propan-1-amine
CID 116743473
1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine
CID 116743518

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The IUPAC name of 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine (CID 116781451) is 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The canonical SMILES for 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is CCC(c1nc(C(OC)C2CCCCC2)no1)C(C)NC.
What is the InChIKey of 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
The InChIKey is INSHFZSKTMSUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-5-13(11(2)17-3)16-18-15(19-21-16)14(20-4)12-9-7-6-8-10-12/h11-14,17H,5-10H2,1-4H3.
What are the key properties of 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine?
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 116781451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).