3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene

C79H123N11O3S — CID 167679859

About 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene

3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene (PubChem CID 167679859) has the molecular formula C79H123N11O3S and a molecular weight of 1306.99 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene
• PubChem CID: 167679859
• Molecular Formula: C79H123N11O3S
• Molecular Weight: 1306.99 g/mol
• Exact Mass: 1305.95
• IUPAC Name: 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene
• SMILES: CC(C)C1=CCC=C1.CC(C)C1=CCC=C1.CC(C)C1N=CCN1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.CC1=NOC(C)C1C(C)C
• InChI: InChI=1S/C8H15NO.C8H11N.2C8H12.C7H12N2.2C7H10N2.C7H10O.C7H10S.C6H12N2.C6H9NO/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;2*1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h5,7-8H,1-4H3;3-7H,1-2H3;2*3,5-7H,4H2,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3,5-6,8H,4H2,1-2H3;3-5H,1-2H3
• InChIKey: VJDLXISIYZUGBY-UHFFFAOYSA-N
• XLogP: 21.77
• TPSA: 167.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 15
• Rotatable Bonds: 11
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1306.99
LogP ≤ 5	21.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene?

The IUPAC name of 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene (CID 167679859) is 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene.

What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene?

The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene is CC(C)C1=CCC=C1.CC(C)C1=CCC=C1.CC(C)C1N=CCN1.CC(C)c1ccccn1.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cnn(C)c1.CC(C)c1ncco1.CC1=NOC(C)C1C(C)C.

What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene?

The InChIKey is VJDLXISIYZUGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C8H11N.2C8H12.C7H12N2.2C7H10N2.C7H10O.C7H10S.C6H12N2.C6H9NO/c1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-3-4-6-9-8;2*1-7(2)8-5-3-4-6-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;2*1-6(2)7-4-3-5-8-7;2*1-5(2)6-7-3-4-8-6/h5,7-8H,1-4H3;3-7H,1-2H3;2*3,5-7H,4H2,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;2*3-6H,1-2H3;3,5-6,8H,4H2,1-2H3;3-5H,1-2H3.

What are the key properties of 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene?

3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene has a molecular weight of 1306.99 g/mol, XLogP of 21.77, 11 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;bis(2-propan-2-ylcyclopenta-1,3-diene);2-propan-2-yl-2,5-dihydro-1H-imidazole;2-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;2-propan-2-ylpyridine;4-propan-2-ylpyrimidine;2-propan-2-ylthiophene is sourced from PubChem (CID 167679859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).