[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine

C13H17N3OS — CID 81318061

IUPAC[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
SMILESCCSCc1noc(Cc2ccccc2CN)n1
InChIInChI=1S/C13H17N3OS/c1-2-18-9-12-15-13(17-16-12)7-10-5-3-4-6-11(10)8-14/h3-6H,2,7-9,14H2,1H3
InChIKeyFZVOEACGUMZIKI-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.37
Rot. Bonds6

About [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine

[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine (PubChem CID 81318061) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
PubChem CID81318061
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
SMILESCCSCc1noc(Cc2ccccc2CN)n1
InChIInChI=1S/C13H17N3OS/c1-2-18-9-12-15-13(17-16-12)7-10-5-3-4-6-11(10)8-14/h3-6H,2,7-9,14H2,1H3
InChIKeyFZVOEACGUMZIKI-UHFFFAOYSA-N
XLogP2.37
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine with MolForge

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Related Compounds

[2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81318498
N-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 65130461
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-1-phenylethanamine
CID 65130327
[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 65129843
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81072564
[2-[[3-(2-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine
CID 81317850
4-[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-yl]aniline
CID 104503178
1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65130266
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
3-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-methyl-2-phenylpropanoic acid
CID 65131137
N-[2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-methylaniline
CID 65130527

Frequently Asked Questions

What is the IUPAC name of [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The IUPAC name of [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine (CID 81318061) is [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The canonical SMILES for [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine is CCSCc1noc(Cc2ccccc2CN)n1.
What is the InChIKey of [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
The InChIKey is FZVOEACGUMZIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-18-9-12-15-13(17-16-12)7-10-5-3-4-6-11(10)8-14/h3-6H,2,7-9,14H2,1H3.
What are the key properties of [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine?
[2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine has a molecular weight of 263.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 81318061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).