4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine

C14H23N3O2S — CID 66250718

IUPAC4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
SMILESCC1(c2nc(CSC3CCCCC3)no2)COCC1N
InChIInChI=1S/C14H23N3O2S/c1-14(9-18-7-11(14)15)13-16-12(17-19-13)8-20-10-5-3-2-4-6-10/h10-11H,2-9,15H2,1H3
InChIKeyIJGFOFFWMDJLAJ-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.25
Rot. Bonds4

About 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine

4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine (PubChem CID 66250718) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
PubChem CID66250718
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
SMILESCC1(c2nc(CSC3CCCCC3)no2)COCC1N
InChIInChI=1S/C14H23N3O2S/c1-14(9-18-7-11(14)15)13-16-12(17-19-13)8-20-10-5-3-2-4-6-10/h10-11H,2-9,15H2,1H3
InChIKeyIJGFOFFWMDJLAJ-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The IUPAC name of 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine (CID 66250718) is 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine.
What is the SMILES notation for 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The canonical SMILES for 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine is CC1(c2nc(CSC3CCCCC3)no2)COCC1N.
What is the InChIKey of 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
The InChIKey is IJGFOFFWMDJLAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-14(9-18-7-11(14)15)13-16-12(17-19-13)8-20-10-5-3-2-4-6-10/h10-11H,2-9,15H2,1H3.
What are the key properties of 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine?
4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine has a molecular weight of 297.42 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine is sourced from PubChem (CID 66250718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).