3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole

C114H186N22O9 — CID 158366146

About 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole (PubChem CID 158366146) has the molecular formula C114H186N22O9 and a molecular weight of 2008.89 g/mol. Its IUPAC name is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

Molecular Properties

• Compound Name: 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
• PubChem CID: 158366146
• Molecular Formula: C114H186N22O9
• Molecular Weight: 2008.89 g/mol
• Exact Mass: 2007.48
• IUPAC Name: 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole
• SMILES: CC(C)C1=CC=NC1.CC(C)c1ccno1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)o1.Cc1cnoc1C(C)C.Cc1coc(C(C)C)n1.Cc1n[nH]c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1noc(C(C)C)c1C.Cc1oncc1C(C)C
• InChI: InChI=1S/C9H16N2.2C8H14N2.C8H13NO.2C7H12N2.6C7H11NO.C7H11N.C6H10N2.2C6H9NO/c1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)8-5-9-10(4)7(8)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h6H,1-5H3;5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
• InChIKey: GUBBIKRFAGZHIH-UHFFFAOYSA-N
• XLogP: 31.38
• TPSA: 386.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 28
• Rotatable Bonds: 16
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2008.89
LogP ≤ 5	31.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The IUPAC name of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole (CID 158366146) is 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole.

What is the SMILES notation for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The canonical SMILES for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole is CC(C)C1=CC=NC1.CC(C)c1ccno1.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.Cc1[nH]ncc1C(C)C.Cc1c(C(C)C)cnn1C.Cc1cc(C(C)C)on1.Cc1cnc(C(C)C)o1.Cc1cnc(C(C)C)o1.Cc1cnoc1C(C)C.Cc1coc(C(C)C)n1.Cc1n[nH]c(C)c1C(C)C.Cc1nn(C)c(C)c1C(C)C.Cc1noc(C(C)C)c1C.Cc1oncc1C(C)C.

What is the InChIKey of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

The InChIKey is GUBBIKRFAGZHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C8H14N2.C8H13NO.2C7H12N2.6C7H11NO.C7H11N.C6H10N2.2C6H9NO/c1-6(2)9-7(3)10-11(5)8(9)4;1-6(2)8-5-9-10(4)7(8)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)8-6(3)7(4)9-10-8;1-6(2)7-4-8-9(3)5-7;2*1-5(2)7-4-8-9-6(7)3;1-5(2)7-8-6(3)4-9-7;2*1-5(2)7-8-4-6(3)9-7;1-5(2)7-6(3)4-8-9-7;1-5(2)7-4-6(3)8-9-7;1-6(2)7-3-4-8-5-7;2*1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6/h6H,1-5H3;5-6H,1-4H3;5H,1-4H3,(H,9,10);5H,1-4H3;4-6H,1-3H3;4-5H,1-3H3,(H,8,9);6*4-5H,1-3H3;3-4,6H,5H2,1-2H3;3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.

What are the key properties of 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole?

3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole has a molecular weight of 2008.89 g/mol, XLogP of 31.38, 16 rotatable bonds, 3 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 3,4-dimethyl-5-propan-2-yl-1,2-oxazole;1,5-dimethyl-4-propan-2-ylpyrazole;3,5-dimethyl-4-propan-2-yl-1H-pyrazole;3-methyl-5-propan-2-yl-1,2-oxazole;4-methyl-2-propan-2-yl-1,3-oxazole;4-methyl-5-propan-2-yl-1,2-oxazole;bis(5-methyl-2-propan-2-yl-1,3-oxazole);5-methyl-4-propan-2-yl-1,2-oxazole;1-methyl-4-propan-2-ylpyrazole;5-methyl-4-propan-2-yl-1H-pyrazole;4-propan-2-yl-1,2-oxazole;5-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;3-propan-2-yl-2H-pyrrole;1,3,5-trimethyl-4-propan-2-ylpyrazole is sourced from PubChem (CID 158366146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).