3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole

C78H124N14O6 — CID 158333917

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole (PubChem CID 158333917) has the molecular formula C78H124N14O6 and a molecular weight of 1353.94 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole
• PubChem CID: 158333917
• Molecular Formula: C78H124N14O6
• Molecular Weight: 1353.94 g/mol
• Exact Mass: 1352.98
• IUPAC Name: 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole
• SMILES: CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1ncco1.COC(=O)n1cccc1C(C)C.Cc1ccc(C(C)C)o1.Cc1noc(C)c1C(C)C
• InChI: InChI=1S/C9H13NO2.C8H13NO.C8H13N.C8H12O.2C7H12N2.C7H11N.2C6H10N2.2C6H9NO/c1-7(2)8-5-4-6-10(8)9(11)12-3;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6/h4-7H,1-3H3;5H,1-4H3;4-7H,1-3H3;3*4-6H,1-3H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3
• InChIKey: GQIRBGCWMDFBSP-UHFFFAOYSA-N
• XLogP: 21.39
• TPSA: 236.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 11
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1353.94
LogP ≤ 5	21.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole?

The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole (CID 158333917) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole.

What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole?

The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole is CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccn[nH]1.CC(C)c1ccnn1C.CC(C)c1cn[nH]c1.CC(C)c1cnn(C)c1.CC(C)c1cnoc1.CC(C)c1ncco1.COC(=O)n1cccc1C(C)C.Cc1ccc(C(C)C)o1.Cc1noc(C)c1C(C)C.

What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole?

The InChIKey is GQIRBGCWMDFBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2.C8H13NO.C8H13N.C8H12O.2C7H12N2.C7H11N.2C6H10N2.2C6H9NO/c1-7(2)8-5-4-6-10(8)9(11)12-3;1-5(2)8-6(3)9-10-7(8)4;1-7(2)8-5-4-6-9(8)3;1-6(2)8-5-4-7(3)9-8;1-6(2)7-4-8-9(3)5-7;1-6(2)7-4-5-8-9(7)3;1-6(2)7-4-3-5-8-7;1-5(2)6-3-7-8-4-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-8-4-6;1-5(2)6-7-3-4-8-6/h4-7H,1-3H3;5H,1-4H3;4-7H,1-3H3;3*4-6H,1-3H3;3-6,8H,1-2H3;2*3-5H,1-2H3,(H,7,8);2*3-5H,1-2H3.

What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole?

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole has a molecular weight of 1353.94 g/mol, XLogP of 21.39, 11 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;2-methyl-5-propan-2-ylfuran;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;1-methyl-2-propan-2-ylpyrrole;methyl 2-propan-2-ylpyrrole-1-carboxylate;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,2-oxazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;2-propan-2-yl-1H-pyrrole is sourced from PubChem (CID 158333917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).