N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine

C17H23N3O3S — CID 133338190

IUPACN-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCS(=O)C1CCCC(Nc2nc(-c3cccc(OC)c3)no2)C1
InChIInChI=1S/C17H23N3O3S/c1-3-24(21)15-9-5-7-13(11-15)18-17-19-16(20-23-17)12-6-4-8-14(10-12)22-2/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3,(H,18,19,20)
InChIKeyMIAHSUKKIUXOBN-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.24
Rot. Bonds6

About N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine

N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 133338190) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID133338190
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCS(=O)C1CCCC(Nc2nc(-c3cccc(OC)c3)no2)C1
InChIInChI=1S/C17H23N3O3S/c1-3-24(21)15-9-5-7-13(11-15)18-17-19-16(20-23-17)12-6-4-8-14(10-12)22-2/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3,(H,18,19,20)
InChIKeyMIAHSUKKIUXOBN-UHFFFAOYSA-N
XLogP3.24
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342228
N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 133378477
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 126805972
3-(3-methoxyphenyl)-N-[1-(2-methylprop-2-enyl)piperidin-4-yl]-1,2,4-oxadiazol-5-amine
CID 133319922
N-(3-ethylsulfinylcyclohexyl)-2-methoxy-6-methylpyrimidin-4-amine
CID 136530984
N-cyclohexyl-3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027837
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
1-(3-ethylsulfinylcyclohexyl)-3-[2-(3-methoxyphenyl)ethyl]-2-methylguanidine;hydroiodide
CID 109441134
N-cyclopentyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605832
N-(3-ethylsulfinylcyclohexyl)pyridin-2-amine
CID 133338221
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 133338190) is N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is CCS(=O)C1CCCC(Nc2nc(-c3cccc(OC)c3)no2)C1.
What is the InChIKey of N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is MIAHSUKKIUXOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-24(21)15-9-5-7-13(11-15)18-17-19-16(20-23-17)12-6-4-8-14(10-12)22-2/h4,6,8,10,13,15H,3,5,7,9,11H2,1-2H3,(H,18,19,20).
What are the key properties of N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 349.46 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133338190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).