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

C11H14N4O — CID 115112711

IUPAC5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline
SMILESCc1cc(-c2noc(CN)n2)cc(N)c1C
InChIInChI=1S/C11H14N4O/c1-6-3-8(4-9(13)7(6)2)11-14-10(5-12)16-15-11/h3-4H,5,12-13H2,1-2H3
InChIKeyZYOGACLMTSQAJS-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.39
Rot. Bonds2

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

5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline (PubChem CID 115112711) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline.

Molecular Properties

Compound Name5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline
PubChem CID115112711
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline
SMILESCc1cc(-c2noc(CN)n2)cc(N)c1C
InChIInChI=1S/C11H14N4O/c1-6-3-8(4-9(13)7(6)2)11-14-10(5-12)16-15-11/h3-4H,5,12-13H2,1-2H3
InChIKeyZYOGACLMTSQAJS-UHFFFAOYSA-N
XLogP1.39
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[3-(3,4,5-trimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117309504
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylbenzoic acid
CID 117369998
[3-(4-methoxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82390048
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-3-methylbenzene-1,2-diol
CID 136993816
[3-(2,3,4,5-tetramethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117334554
[3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 117346150
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-chloroaniline
CID 115112709
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-methoxyaniline
CID 115112713
[3-(4-butan-2-yloxy-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 102548076
[3-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 97179423
[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82473258
[3-(3-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 82487508

Frequently Asked Questions

What is the IUPAC name of 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline?
The IUPAC name of 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline (CID 115112711) is 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline.
What is the SMILES notation for 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline?
The canonical SMILES for 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline is Cc1cc(-c2noc(CN)n2)cc(N)c1C.
What is the InChIKey of 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline?
The InChIKey is ZYOGACLMTSQAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-6-3-8(4-9(13)7(6)2)11-14-10(5-12)16-15-11/h3-4H,5,12-13H2,1-2H3.
What are the key properties of 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline?
5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline has a molecular weight of 218.26 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2,3-dimethylaniline is sourced from PubChem (CID 115112711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).