3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

C11H13N3O — CID 63021546

IUPAC3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2cc(N)cc(C)c2C)n1
InChIInChI=1S/C11H13N3O/c1-6-4-9(12)5-10(7(6)2)11-13-8(3)14-15-11/h4-5H,12H2,1-3H3
InChIKeyXZWGCGHSIUKMIX-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.24
Rot. Bonds1

About 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline

3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (PubChem CID 63021546) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.

Molecular Properties

Compound Name3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
PubChem CID63021546
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
SMILESCc1noc(-c2cc(N)cc(C)c2C)n1
InChIInChI=1S/C11H13N3O/c1-6-4-9(12)5-10(7(6)2)11-13-8(3)14-15-11/h4-5H,12H2,1-3H3
InChIKeyXZWGCGHSIUKMIX-UHFFFAOYSA-N
XLogP2.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
CID 63019293
5-(5-amino-2,3-dimethylphenyl)-1,2,4-oxadiazole-3-carboxamide
CID 102790237
3-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 63891693
3,4-dimethyl-5-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63019469
3-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
CID 55229788
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-4,5-dimethylaniline
CID 64982375
3,4-dimethyl-5-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63021557
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 65133341
3-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 116741164
3-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4,5-dimethylaniline
CID 116740359
5-chloro-2-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 28529083
3,4-dimethyl-5-(4-methyl-1,3-benzoxazol-2-yl)aniline
CID 63019646

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The IUPAC name of 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline (CID 63021546) is 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline.
What is the SMILES notation for 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The canonical SMILES for 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is Cc1noc(-c2cc(N)cc(C)c2C)n1.
What is the InChIKey of 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
The InChIKey is XZWGCGHSIUKMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-6-4-9(12)5-10(7(6)2)11-13-8(3)14-15-11/h4-5H,12H2,1-3H3.
What are the key properties of 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline?
3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline has a molecular weight of 203.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline is sourced from PubChem (CID 63021546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).