2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol

C10H11N3O4S — CID 136992069

IUPAC2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1cccc(O)c1-c1noc(CN)n1
InChIInChI=1S/C10H11N3O4S/c1-18(15,16)7-4-2-3-6(14)9(7)10-12-8(5-11)17-13-10/h2-4,14H,5,11H2,1H3
InChIKeyQEIFAVMIYQFSRY-UHFFFAOYSA-N
MW269.28 g/mol
LogP0.30
Rot. Bonds3

About 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol

2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol (PubChem CID 136992069) has the molecular formula C10H11N3O4S and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol
PubChem CID136992069
Molecular FormulaC10H11N3O4S
Molecular Weight269.28 g/mol
Exact Mass269.05
IUPAC Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol
SMILESCS(=O)(=O)c1cccc(O)c1-c1noc(CN)n1
InChIInChI=1S/C10H11N3O4S/c1-18(15,16)7-4-2-3-6(14)9(7)10-12-8(5-11)17-13-10/h2-4,14H,5,11H2,1H3
InChIKeyQEIFAVMIYQFSRY-UHFFFAOYSA-N
XLogP0.30
TPSA119.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(3-fluoro-2-methylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117430690
[3-[2-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 117342084
[3-(6-chloro-2,3-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117348084
acetamide;[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 145151193
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol
CID 136993733
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-difluorophenol
CID 136968527
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3,5-difluorophenol
CID 136968528
[3-(2-chloro-6-fluorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008074
[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-methylsulfonylbenzoate
CID 18171214
[3-(2-bromo-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117456713
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol
CID 136942298
[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116632837

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol?
The IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol (CID 136992069) is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol.
What is the SMILES notation for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol?
The canonical SMILES for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol is CS(=O)(=O)c1cccc(O)c1-c1noc(CN)n1.
What is the InChIKey of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol?
The InChIKey is QEIFAVMIYQFSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4S/c1-18(15,16)7-4-2-3-6(14)9(7)10-12-8(5-11)17-13-10/h2-4,14H,5,11H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol?
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol has a molecular weight of 269.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylsulfonylphenol is sourced from PubChem (CID 136992069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).