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

C14H23N3O2S — CID 116781452

IUPAC4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCOC(c1noc(C2CSCC2N)n1)C1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-18-12(9-5-3-2-4-6-9)13-16-14(19-17-13)10-7-20-8-11(10)15/h9-12H,2-8,15H2,1H3
InChIKeyTWHZTXYJQTZVTB-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.50
Rot. Bonds4

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

4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 116781452) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID116781452
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCOC(c1noc(C2CSCC2N)n1)C1CCCCC1
InChIInChI=1S/C14H23N3O2S/c1-18-12(9-5-3-2-4-6-9)13-16-14(19-17-13)10-7-20-8-11(10)15/h9-12H,2-8,15H2,1H3
InChIKeyTWHZTXYJQTZVTB-UHFFFAOYSA-N
XLogP2.50
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781472
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
3-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116743548
4-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83201156
1-amino-1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116743520
4-[3-(1-methoxy-4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781338
2-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116781447
4-[3-[cyclopropyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methyloxolan-3-amine
CID 116703433
4-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 107924599
1-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]but-3-en-1-amine
CID 116743518
4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 83193007

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 116781452) is 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine is COC(c1noc(C2CSCC2N)n1)C1CCCCC1.
What is the InChIKey of 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is TWHZTXYJQTZVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-18-12(9-5-3-2-4-6-9)13-16-14(19-17-13)10-7-20-8-11(10)15/h9-12H,2-8,15H2,1H3.
What are the key properties of 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 297.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 116781452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).