2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole

C13H16N2O2 — CID 110655539

IUPAC2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(COc2cc(C)c(C)cc2C)o1
InChIInChI=1S/C13H16N2O2/c1-8-5-10(3)12(6-9(8)2)16-7-13-15-14-11(4)17-13/h5-6H,7H2,1-4H3
InChIKeyBQMJMQJHVUEQFY-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.88
Rot. Bonds3

About 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole

2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 110655539) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID110655539
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1nnc(COc2cc(C)c(C)cc2C)o1
InChIInChI=1S/C13H16N2O2/c1-8-5-10(3)12(6-9(8)2)16-7-13-15-14-11(4)17-13/h5-6H,7H2,1-4H3
InChIKeyBQMJMQJHVUEQFY-UHFFFAOYSA-N
XLogP2.88
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole (CID 110655539) is 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole is Cc1nnc(COc2cc(C)c(C)cc2C)o1.
What is the InChIKey of 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is BQMJMQJHVUEQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-8-5-10(3)12(6-9(8)2)16-7-13-15-14-11(4)17-13/h5-6H,7H2,1-4H3.
What are the key properties of 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole?
2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 232.28 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(2,4,5-trimethylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110655539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).