ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine

C54H99N7O3 — CID 160566129

About ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine

ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine (PubChem CID 160566129) has the molecular formula C54H99N7O3 and a molecular weight of 894.43 g/mol. Its IUPAC name is ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

Molecular Properties

• Compound Name: ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
• PubChem CID: 160566129
• Molecular Formula: C54H99N7O3
• Molecular Weight: 894.43 g/mol
• Exact Mass: 893.78
• IUPAC Name: ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine
• SMILES: C.CC.CC.CC.CC.CC.CC.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncccn1.CC(C)c1ncco1
• InChI: InChI=1S/2C8H11N.C7H10N2.3C6H9NO.6C2H6.CH4/c1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;6*1-2;/h2*3-7H,1-2H3;3-6H,1-2H3;3*3-5H,1-2H3;6*1-2H3;1H4
• InChIKey: QZYFCRALIMUIDV-UHFFFAOYSA-N
• XLogP: 18.20
• TPSA: 129.65 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	894.43
LogP ≤ 5	18.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The IUPAC name of ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine (CID 160566129) is ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine.

What is the SMILES notation for ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The canonical SMILES for ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine is C.CC.CC.CC.CC.CC.CC.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1cnco1.CC(C)c1cocn1.CC(C)c1ncccn1.CC(C)c1ncco1.

What is the InChIKey of ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

The InChIKey is QZYFCRALIMUIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H11N.C7H10N2.3C6H9NO.6C2H6.CH4/c1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-6(2)7-8-4-3-5-9-7;1-5(2)6-3-8-4-7-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;6*1-2;/h2*3-7H,1-2H3;3-6H,1-2H3;3*3-5H,1-2H3;6*1-2H3;1H4.

What are the key properties of ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine?

ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine has a molecular weight of 894.43 g/mol, XLogP of 18.20, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine is sourced from PubChem (CID 160566129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).