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

C42H71N15O — CID 160903048

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

methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole) (PubChem CID 160903048) has the molecular formula C42H71N15O and a molecular weight of 802.13 g/mol. Its IUPAC name is methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole).

Molecular Properties

• Compound Name: methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole)
• PubChem CID: 160903048
• Molecular Formula: C42H71N15O
• Molecular Weight: 802.13 g/mol
• Exact Mass: 801.60
• IUPAC Name: methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole)
• SMILES: C.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cncn1
• InChI: InChI=1S/C7H10N2.C7H11N.C6H10N2.C6H9NO.3C5H9N3.CH4/c1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;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;/h3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4*3-5H,1-2H3;1H4
• InChIKey: SPTPBXKVWJYBMQ-UHFFFAOYSA-N
• XLogP: 10.14
• TPSA: 166.69 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	802.13
LogP ≤ 5	10.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

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

The IUPAC name of methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole) (CID 160903048) is methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole).

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

The canonical SMILES for methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole) is C.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cncn1.

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

The InChIKey is SPTPBXKVWJYBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2.C7H11N.C6H10N2.C6H9NO.3C5H9N3.CH4/c1-6(2)7-8-4-3-5-9-7;1-7(2)8-5-3-4-6-8;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;/h3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3;4*3-5H,1-2H3;1H4.

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

methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole) has a molecular weight of 802.13 g/mol, XLogP of 10.14, 7 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for methane;2-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-yltriazole;bis(1-propan-2-yl-1,2,4-triazole) is sourced from PubChem (CID 160903048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).