5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline

C11H13N3O2 — CID 102706044

IUPAC5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline
SMILESCOc1nnc(-c2cc(N)c(C)cc2C)o1
InChIInChI=1S/C11H13N3O2/c1-6-4-7(2)9(12)5-8(6)10-13-14-11(15-3)16-10/h4-5H,12H2,1-3H3
InChIKeySSXDQBYJCDCXKL-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.94
Rot. Bonds2

About 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline

5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline (PubChem CID 102706044) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline.

Molecular Properties

Compound Name5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline
PubChem CID102706044
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline
SMILESCOc1nnc(-c2cc(N)c(C)cc2C)o1
InChIInChI=1S/C11H13N3O2/c1-6-4-7(2)9(12)5-8(6)10-13-14-11(15-3)16-10/h4-5H,12H2,1-3H3
InChIKeySSXDQBYJCDCXKL-UHFFFAOYSA-N
XLogP1.94
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dimethyl-5-(5-phenyl-1,3,4-oxadiazol-2-yl)aniline
CID 102706038
4,5-dimethoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 16767521
[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82471864
2-(5-methoxy-2,4-dimethylphenyl)-5-(4-propan-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
CID 162486481
5-ethoxy-4-methoxy-2-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CID 28643066
5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazol-2-amine
CID 63048941
2,4-dimethyl-5-(5-methyl-1H-imidazol-2-yl)aniline
CID 102706436
ethyl 5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619253
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
N-[3-(5-amino-1,3,4-oxadiazol-2-yl)-4-methylphenyl]methanesulfonamide
CID 21357771
4-amino-2-methoxy-5-methylbenzonitrile
CID 23068192
2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
CID 114771109

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline?
The IUPAC name of 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline (CID 102706044) is 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline.
What is the SMILES notation for 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline?
The canonical SMILES for 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline is COc1nnc(-c2cc(N)c(C)cc2C)o1.
What is the InChIKey of 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline?
The InChIKey is SSXDQBYJCDCXKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-6-4-7(2)9(12)5-8(6)10-13-14-11(15-3)16-10/h4-5H,12H2,1-3H3.
What are the key properties of 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline?
5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline has a molecular weight of 219.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1,3,4-oxadiazol-2-yl)-2,4-dimethylaniline is sourced from PubChem (CID 102706044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).