5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine

C11H14N4O — CID 106968307

IUPAC5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(C)c1Nc1nnc(CN)o1
InChIInChI=1S/C11H14N4O/c1-7-4-3-5-8(2)10(7)13-11-15-14-9(6-12)16-11/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyXYRXTTSYVAUJLT-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.89
Rot. Bonds3

About 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine

5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106968307) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
PubChem CID106968307
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine
SMILESCc1cccc(C)c1Nc1nnc(CN)o1
InChIInChI=1S/C11H14N4O/c1-7-4-3-5-8(2)10(7)13-11-15-14-9(6-12)16-11/h3-5H,6,12H2,1-2H3,(H,13,15)
InChIKeyXYRXTTSYVAUJLT-UHFFFAOYSA-N
XLogP1.89
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine (CID 106968307) is 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine is Cc1cccc(C)c1Nc1nnc(CN)o1.
What is the InChIKey of 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is XYRXTTSYVAUJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-4-3-5-8(2)10(7)13-11-15-14-9(6-12)16-11/h3-5H,6,12H2,1-2H3,(H,13,15).
What are the key properties of 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine?
5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(2,6-dimethylphenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106968307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).