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

C16H21N3O2S — CID 133378477

IUPACN-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCSC1CCCC1Nc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C16H21N3O2S/c1-3-22-14-9-5-8-13(14)17-16-18-15(19-21-16)11-6-4-7-12(10-11)20-2/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3,(H,17,18,19)
InChIKeyQPWRDHQUUDMUCV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.83
Rot. Bonds6

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

N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (PubChem CID 133378477) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound NameN-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
PubChem CID133378477
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
SMILESCCSC1CCCC1Nc1nc(-c2cccc(OC)c2)no1
InChIInChI=1S/C16H21N3O2S/c1-3-22-14-9-5-8-13(14)17-16-18-15(19-21-16)11-6-4-7-12(10-11)20-2/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3,(H,17,18,19)
InChIKeyQPWRDHQUUDMUCV-UHFFFAOYSA-N
XLogP3.83
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.83
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-(3-ethylsulfinylcyclohexyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 133338190
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
5-cyclopropyl-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 19658006
3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
2-[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-methylcyclopentan-1-amine
CID 63348630
5-[(2R)-azetidin-2-yl]-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 120841721
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
5-(2-cyclopentylethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazole
CID 8895516
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine (CID 133378477) is N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is CCSC1CCCC1Nc1nc(-c2cccc(OC)c2)no1.
What is the InChIKey of N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is QPWRDHQUUDMUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-3-22-14-9-5-8-13(14)17-16-18-15(19-21-16)11-6-4-7-12(10-11)20-2/h4,6-7,10,13-14H,3,5,8-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine?
N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 319.43 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylsulfanylcyclopentyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 133378477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).