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

C11H13N3O2 — CID 136993733

IUPAC2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol
SMILESCCc1ccc(O)c(-c2noc(CN)n2)c1
InChIInChI=1S/C11H13N3O2/c1-2-7-3-4-9(15)8(5-7)11-13-10(6-12)16-14-11/h3-5,15H,2,6,12H2,1H3
InChIKeyLCVHJZYKRBLKLA-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.46
Rot. Bonds3

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

2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol (PubChem CID 136993733) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol.

Molecular Properties

Compound Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol
PubChem CID136993733
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol
SMILESCCc1ccc(O)c(-c2noc(CN)n2)c1
InChIInChI=1S/C11H13N3O2/c1-2-7-3-4-9(15)8(5-7)11-13-10(6-12)16-14-11/h3-5,15H,2,6,12H2,1H3
InChIKeyLCVHJZYKRBLKLA-UHFFFAOYSA-N
XLogP1.46
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-(difluoromethyl)phenol
CID 136952313
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-difluorophenol
CID 136968527
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-ethylphenol
CID 136942298
3-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5-bromobenzene-1,2-diol
CID 136968250
[3-(4-ethyl-2,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117412438
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-chloro-6-methylphenol
CID 136952236
4-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 136942270
[3-(2,3,4,5-tetramethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117334554
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-5,6,7,8-tetrahydronaphthalen-1-ol
CID 137011517
6-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-bromo-3,4-dimethylphenol
CID 136966332
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzene-1,2-diol
CID 136993816
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-fluoro-2-methoxy-6-methylphenol
CID 117385228

Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol?
The IUPAC name of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol (CID 136993733) is 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol.
What is the SMILES notation for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol?
The canonical SMILES for 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol is CCc1ccc(O)c(-c2noc(CN)n2)c1.
What is the InChIKey of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol?
The InChIKey is LCVHJZYKRBLKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-7-3-4-9(15)8(5-7)11-13-10(6-12)16-14-11/h3-5,15H,2,6,12H2,1H3.
What are the key properties of 2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol?
2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-4-ethylphenol has a molecular weight of 219.24 g/mol, XLogP of 1.46, 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-ethylphenol is sourced from PubChem (CID 136993733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).