2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole

C39H65N17O — CID 159143389

About 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole

2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole (PubChem CID 159143389) has the molecular formula C39H65N17O and a molecular weight of 788.07 g/mol. Its IUPAC name is 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole.

Molecular Properties

• Compound Name: 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole
• PubChem CID: 159143389
• Molecular Formula: C39H65N17O
• Molecular Weight: 788.07 g/mol
• Exact Mass: 787.56
• IUPAC Name: 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole
• SMILES: CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cncn1.CC(C)n1nccn1
• InChI: InChI=1S/C7H10N2.C6H10N2.C6H9NO.4C5H9N3/c1-6(2)7-8-4-3-5-9-7;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;2*1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8/h3-6H,1-2H3;3-6H,1-2H3;5*3-5H,1-2H3
• InChIKey: KIJJTJFRYZDLHV-UHFFFAOYSA-N
• XLogP: 8.30
• TPSA: 192.47 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 7
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	788.07
LogP ≤ 5	8.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole?

The IUPAC name of 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole (CID 159143389) is 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole.

What is the SMILES notation for 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole?

The canonical SMILES for 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole is CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cncn1.CC(C)n1nccn1.

What is the InChIKey of 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole?

The InChIKey is KIJJTJFRYZDLHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C6H10N2.C6H9NO.4C5H9N3/c1-6(2)7-8-4-3-5-9-7;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;2*1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8/h3-6H,1-2H3;3-6H,1-2H3;5*3-5H,1-2H3.

What are the key properties of 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole?

2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole has a molecular weight of 788.07 g/mol, XLogP of 8.30, 7 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole);2-propan-2-yltriazole is sourced from PubChem (CID 159143389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).