4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline

C12H16N4O — CID 43559235

IUPAC4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
SMILESCc1nc(C(N)c2ccc(N(C)C)cc2)no1
InChIInChI=1S/C12H16N4O/c1-8-14-12(15-17-8)11(13)9-4-6-10(7-5-9)16(2)3/h4-7,11H,13H2,1-3H3
InChIKeyAUWSJZFJXUHQDW-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.49
Rot. Bonds3

About 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline

4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline (PubChem CID 43559235) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline.

Molecular Properties

Compound Name4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
PubChem CID43559235
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline
SMILESCc1nc(C(N)c2ccc(N(C)C)cc2)no1
InChIInChI=1S/C12H16N4O/c1-8-14-12(15-17-8)11(13)9-4-6-10(7-5-9)16(2)3/h4-7,11H,13H2,1-3H3
InChIKeyAUWSJZFJXUHQDW-UHFFFAOYSA-N
XLogP1.49
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline?
The IUPAC name of 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline (CID 43559235) is 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline.
What is the SMILES notation for 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline?
The canonical SMILES for 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline is Cc1nc(C(N)c2ccc(N(C)C)cc2)no1.
What is the InChIKey of 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline?
The InChIKey is AUWSJZFJXUHQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-8-14-12(15-17-8)11(13)9-4-6-10(7-5-9)16(2)3/h4-7,11H,13H2,1-3H3.
What are the key properties of 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline?
4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline has a molecular weight of 232.29 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N,N-dimethylaniline is sourced from PubChem (CID 43559235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).