[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

C10H10FN3O3S — CID 117430690

IUPAC[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCS(=O)(=O)c1c(F)cccc1-c1noc(CN)n1
InChIInChI=1S/C10H10FN3O3S/c1-18(15,16)9-6(3-2-4-7(9)11)10-13-8(5-12)17-14-10/h2-4H,5,12H2,1H3
InChIKeyRSSRURUPUMWAHV-UHFFFAOYSA-N
MW271.27 g/mol
LogP0.74
Rot. Bonds3

About [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine

[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (PubChem CID 117430690) has the molecular formula C10H10FN3O3S and a molecular weight of 271.27 g/mol. Its IUPAC name is [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
PubChem CID117430690
Molecular FormulaC10H10FN3O3S
Molecular Weight271.27 g/mol
Exact Mass271.04
IUPAC Name[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
SMILESCS(=O)(=O)c1c(F)cccc1-c1noc(CN)n1
InChIInChI=1S/C10H10FN3O3S/c1-18(15,16)9-6(3-2-4-7(9)11)10-13-8(5-12)17-14-10/h2-4H,5,12H2,1H3
InChIKeyRSSRURUPUMWAHV-UHFFFAOYSA-N
XLogP0.74
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol
CID 136992069
[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008074
(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)methanamine;hydrochloride
CID 121237656
5-ethyl-3-(2-fluorophenyl)-1,2,4-oxadiazole
CID 129238942
[3-(2,5-difluoro-3,6-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117350136
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-fluoro-2-methylbenzoic acid
CID 117380462
[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 86261810
[3-(2-chloro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117351733
[3-(3,4-difluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117354407
[3-(2,3-dimethylbenzimidazol-4-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117359751
[3-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430541

Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The IUPAC name of [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine (CID 117430690) is [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine.
What is the SMILES notation for [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The canonical SMILES for [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is CS(=O)(=O)c1c(F)cccc1-c1noc(CN)n1.
What is the InChIKey of [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
The InChIKey is RSSRURUPUMWAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O3S/c1-18(15,16)9-6(3-2-4-7(9)11)10-13-8(5-12)17-14-10/h2-4H,5,12H2,1H3.
What are the key properties of [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine?
[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine has a molecular weight of 271.27 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine is sourced from PubChem (CID 117430690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).