2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol

C11H12ClN3O2 — CID 136942298

IUPAC2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol
SMILESCCc1cc(Cl)cc(-c2noc(CN)n2)c1O
InChIInChI=1S/C11H12ClN3O2/c1-2-6-3-7(12)4-8(10(6)16)11-14-9(5-13)17-15-11/h3-4,16H,2,5,13H2,1H3
InChIKeyMGLGEQIRWLBKMR-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.12
Rot. Bonds3

About 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol

2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol (PubChem CID 136942298) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol
PubChem CID136942298
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol
SMILESCCc1cc(Cl)cc(-c2noc(CN)n2)c1O
InChIInChI=1S/C11H12ClN3O2/c1-2-6-3-7(12)4-8(10(6)16)11-14-9(5-13)17-15-11/h3-4,16H,2,5,13H2,1H3
InChIKeyMGLGEQIRWLBKMR-UHFFFAOYSA-N
XLogP2.12
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-methylphenol
CID 136952236
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-fluorophenol
CID 137011460
[3-(5-chloro-2-methoxy-3-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117452342
[3-(2,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
CID 71829645
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol
CID 136993733
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-bromobenzene-1,2-diol
CID 136968250
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-bromo-3,4-dimethylphenol
CID 136966332
[3-(2,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 23008067
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-chloro-4-fluoro-6-methoxyphenol
CID 136932491
[3-(4-ethyl-2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412438
7-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-chloro-1,3-dihydroindol-2-one
CID 117416069
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-bromo-6-methoxyphenol
CID 136966383

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol?
The IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol (CID 136942298) is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol.
What is the SMILES notation for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol?
The canonical SMILES for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol is CCc1cc(Cl)cc(-c2noc(CN)n2)c1O.
What is the InChIKey of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol?
The InChIKey is MGLGEQIRWLBKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-2-6-3-7(12)4-8(10(6)16)11-14-9(5-13)17-15-11/h3-4,16H,2,5,13H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol?
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol has a molecular weight of 253.69 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol is sourced from PubChem (CID 136942298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).