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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Related Compounds

4-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 66248370
4-(3-butyl-1,2,4-oxadiazol-5-yl)-4-methyloxolan-3-amine
CID 79405959
4-[3-[(4-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-4-methyloxolan-3-amine
CID 66249743
3-(cyclohexylsulfanylmethyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65140310
3-[3-(cyclohexylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylpentan-2-amine
CID 65144278
3-(cyclopentylsulfanylmethyl)-5-(3-methylpiperidin-3-yl)-1,2,4-oxadiazole
CID 65141422
4-methyl-4-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66250519
4-methyl-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 80690241
3-(cyclopentylsulfanylmethyl)-5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 106983407
[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65141214
2-methyl-2-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 83214094
3-[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 65261429

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).