1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene

C128H183N21O6S — CID 158389926

About 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene

1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene (PubChem CID 158389926) has the molecular formula C128H183N21O6S and a molecular weight of 2144.08 g/mol. Its IUPAC name is 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene.

Molecular Properties

• Compound Name: 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene
• PubChem CID: 158389926
• Molecular Formula: C128H183N21O6S
• Molecular Weight: 2144.08 g/mol
• Exact Mass: 2142.44
• IUPAC Name: 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene
• SMILES: CC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C
• InChI: InChI=1S/2C8H10.C7H9NO.C7H13NO.2C7H9NO.5C7H9N.C7H12.C6H8N2.C6H13N.3C5H8N2.2C5H7NO.C5H7NS/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-8(2)7(9)5-6;3*1-6-3-4-7(9)8(2)5-6;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-3-7(2,4-6)5-6;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;2*1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2/h2*3-6H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;2*3-5H,1-2H3;5*3-5H,1-2H3;3-5H2,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3/t;;;6-;;;;;;;;;;6-;;;;;;/m...1.........0....../s1
• InChIKey: GWVFKXNAIRFELB-IPTMCJDVSA-N
• XLogP: 27.27
• TPSA: 309.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2144.08
LogP ≤ 5	27.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene?

The IUPAC name of 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene (CID 158389926) is 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene.

What is the SMILES notation for 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene?

The canonical SMILES for 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene is CC12CC(C)(C1)C2.C[C@@H]1CCC(=O)N(C)C1.C[C@H]1CCCN1C.Cc1cc(C)on1.Cc1ccc(=O)n(C)c1.Cc1ccc(=O)n(C)c1.Cc1ccc(C)nc1.Cc1cccc(C)c1.Cc1ccccc1C.Cc1cccnc1C.Cc1ccn(C)c(=O)c1.Cc1ccnc(C)c1.Cc1ccncc1C.Cc1cn[nH]c1C.Cc1cnc(C)nc1.Cc1cncc(C)c1.Cc1cnn(C)c1.Cc1cnn(C)c1.Cc1cnoc1C.Cc1cnsc1C.

What is the InChIKey of 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene?

The InChIKey is GWVFKXNAIRFELB-IPTMCJDVSA-N. The full InChI is InChI=1S/2C8H10.C7H9NO.C7H13NO.2C7H9NO.5C7H9N.C7H12.C6H8N2.C6H13N.3C5H8N2.2C5H7NO.C5H7NS/c1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;1-6-3-4-8(2)7(9)5-6;3*1-6-3-4-7(9)8(2)5-6;1-6-3-7(2)5-8-4-6;1-6-3-4-8-5-7(6)2;1-6-3-4-8-7(2)5-6;1-6-3-4-7(2)8-5-6;1-6-4-3-5-8-7(6)2;1-6-3-7(2,4-6)5-6;1-5-3-7-6(2)8-4-5;1-6-4-3-5-7(6)2;2*1-5-3-6-7(2)4-5;2*1-4-3-6-7-5(4)2;1-4-3-5(2)7-6-4;1-4-3-6-7-5(4)2/h2*3-6H,1-2H3;3-5H,1-2H3;6H,3-5H2,1-2H3;2*3-5H,1-2H3;5*3-5H,1-2H3;3-5H2,1-2H3;3-4H,1-2H3;6H,3-5H2,1-2H3;2*3-4H,1-2H3;3H,1-2H3,(H,6,7);3*3H,1-2H3/t;;;6-;;;;;;;;;;6-;;;;;;/m...1.........0....../s1.

What are the key properties of 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene?

1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene has a molecular weight of 2144.08 g/mol, XLogP of 27.27, 0 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-dimethylbicyclo[1.1.1]pentane;3,5-dimethyl-1,2-oxazole;4,5-dimethyl-1,2-oxazole;(5R)-1,5-dimethylpiperidin-2-one;bis(1,4-dimethylpyrazole);4,5-dimethyl-1H-pyrazole;2,3-dimethylpyridine;2,4-dimethylpyridine;2,5-dimethylpyridine;3,4-dimethylpyridine;3,5-dimethylpyridine;1,4-dimethylpyridin-2-one;bis(1,5-dimethylpyridin-2-one);2,5-dimethylpyrimidine;(2S)-1,2-dimethylpyrrolidine;4,5-dimethyl-1,2-thiazole;1,2-xylene;1,3-xylene is sourced from PubChem (CID 158389926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).