bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine

C29H39N7O2 — CID 162213967

IUPACbis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C)nc1.Cc1cnc(C)cn1.Cc1cnc(C)nc1
InChIInChI=1S/C7H9N.2C6H8N2.2C5H7NO/c1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;2*1-4-3-5(2)7-6-4/h3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyZTFNSKQQQBARDY-UHFFFAOYSA-N
MW517.68 g/mol
LogP6.47
Rot. Bonds

About bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine

bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine (PubChem CID 162213967) has the molecular formula C29H39N7O2 and a molecular weight of 517.68 g/mol. Its IUPAC name is bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine.

Molecular Properties

Compound Namebis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine
PubChem CID162213967
Molecular FormulaC29H39N7O2
Molecular Weight517.68 g/mol
Exact Mass517.32
IUPAC Namebis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine
SMILESCc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C)nc1.Cc1cnc(C)cn1.Cc1cnc(C)nc1
InChIInChI=1S/C7H9N.2C6H8N2.2C5H7NO/c1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;2*1-4-3-5(2)7-6-4/h3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3
InChIKeyZTFNSKQQQBARDY-UHFFFAOYSA-N
XLogP6.47
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.68
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine?
The IUPAC name of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine (CID 162213967) is bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine.
What is the SMILES notation for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine?
The canonical SMILES for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine is Cc1cc(C)on1.Cc1cc(C)on1.Cc1ccc(C)nc1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.
What is the InChIKey of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine?
The InChIKey is ZTFNSKQQQBARDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.2C6H8N2.2C5H7NO/c1-6-3-4-7(2)8-5-6;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;2*1-4-3-5(2)7-6-4/h3-5H,1-2H3;2*3-4H,1-2H3;2*3H,1-2H3.
What are the key properties of bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine?
bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine has a molecular weight of 517.68 g/mol, XLogP of 6.47, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,5-dimethyl-1,2-oxazole);2,5-dimethylpyrazine;2,5-dimethylpyridine;2,5-dimethylpyrimidine is sourced from PubChem (CID 162213967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).