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

C14H23N3O2 — CID 116743518

IUPAC1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine
SMILESC=CCC(N)c1nc(C(OC)C2CCCCC2)no1
InChIInChI=1S/C14H23N3O2/c1-3-7-11(15)14-16-13(17-19-14)12(18-2)10-8-5-4-6-9-10/h3,10-12H,1,4-9,15H2,2H3
InChIKeyVDIGOWOZUXTARJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.91
Rot. Bonds6

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

1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine (PubChem CID 116743518) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine.

Molecular Properties

Compound Name1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine
PubChem CID116743518
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine
SMILESC=CCC(N)c1nc(C(OC)C2CCCCC2)no1
InChIInChI=1S/C14H23N3O2/c1-3-7-11(15)14-16-13(17-19-14)12(18-2)10-8-5-4-6-9-10/h3,10-12H,1,4-9,15H2,2H3
InChIKeyVDIGOWOZUXTARJ-UHFFFAOYSA-N
XLogP2.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781447
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
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpentan-2-amine
CID 116781451
(1S)-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-3-phenylpropan-1-amine
CID 104983509
(1S)-2-amino-1-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 107837305
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylethanamine
CID 116743511
3-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781474
5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743414
1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine
CID 116779150
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropanenitrile
CID 106527287

Frequently Asked Questions

What is the IUPAC name of 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine?
The IUPAC name of 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine (CID 116743518) is 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine.
What is the SMILES notation for 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine?
The canonical SMILES for 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine is C=CCC(N)c1nc(C(OC)C2CCCCC2)no1.
What is the InChIKey of 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine?
The InChIKey is VDIGOWOZUXTARJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-7-11(15)14-16-13(17-19-14)12(18-2)10-8-5-4-6-9-10/h3,10-12H,1,4-9,15H2,2H3.
What are the key properties of 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine?
1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine has a molecular weight of 265.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine is sourced from PubChem (CID 116743518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).