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

C15H25N3O2S — CID 116781472

IUPAC4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCCOC(c1noc(C2CSCC2N)n1)C1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-2-19-13(10-6-4-3-5-7-10)14-17-15(20-18-14)11-8-21-9-12(11)16/h10-13H,2-9,16H2,1H3
InChIKeyIEXNNMGCTULJGM-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.89
Rot. Bonds5

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

4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine (PubChem CID 116781472) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine.

Molecular Properties

Compound Name4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
PubChem CID116781472
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
SMILESCCOC(c1noc(C2CSCC2N)n1)C1CCCCC1
InChIInChI=1S/C15H25N3O2S/c1-2-19-13(10-6-4-3-5-7-10)14-17-15(20-18-14)11-8-21-9-12(11)16/h10-13H,2-9,16H2,1H3
InChIKeyIEXNNMGCTULJGM-UHFFFAOYSA-N
XLogP2.89
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine
CID 116781452
3-[cyclohexyl(ethoxy)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 116743568
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
2-amino-1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 116743620
2-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483663
3-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 116781474
4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)thiolan-3-amine
CID 83200734
1-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 116743615
4-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-N-ethylthiolan-3-amine
CID 83201404
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 116703876

Frequently Asked Questions

What is the IUPAC name of 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The IUPAC name of 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine (CID 116781472) is 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine.
What is the SMILES notation for 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The canonical SMILES for 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine is CCOC(c1noc(C2CSCC2N)n1)C1CCCCC1.
What is the InChIKey of 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
The InChIKey is IEXNNMGCTULJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-2-19-13(10-6-4-3-5-7-10)14-17-15(20-18-14)11-8-21-9-12(11)16/h10-13H,2-9,16H2,1H3.
What are the key properties of 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine?
4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine has a molecular weight of 311.45 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[cyclohexyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]thiolan-3-amine is sourced from PubChem (CID 116781472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).