4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole

C49H83N17O4 — CID 159952878

About 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole

4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole (PubChem CID 159952878) has the molecular formula C49H83N17O4 and a molecular weight of 974.32 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole.

Molecular Properties

• Compound Name: 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole
• PubChem CID: 159952878
• Molecular Formula: C49H83N17O4
• Molecular Weight: 974.32 g/mol
• Exact Mass: 973.68
• IUPAC Name: 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole
• SMILES: CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1nncn1C.CC(C)c1nnn(C)n1.Cc1cnc(C(C)C)o1.Cc1coc(C(C)C)n1
• InChI: InChI=1S/2C7H11NO.3C6H11N3.2C6H9NO.C5H10N4/c1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-8-9(3)7-5/h5*4-5H,1-3H3;2*3-5H,1-2H3;4H,1-3H3
• InChIKey: OCIKJXHKTQGCPS-UHFFFAOYSA-N
• XLogP: 10.96
• TPSA: 239.85 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 8
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	974.32
LogP ≤ 5	10.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole?

The IUPAC name of 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole (CID 159952878) is 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole.

What is the SMILES notation for 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole?

The canonical SMILES for 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole is CC(C)c1ccon1.CC(C)c1ncco1.CC(C)c1ncn(C)n1.CC(C)c1ncnn1C.CC(C)c1nncn1C.CC(C)c1nnn(C)n1.Cc1cnc(C(C)C)o1.Cc1coc(C(C)C)n1.

What is the InChIKey of 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole?

The InChIKey is OCIKJXHKTQGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H11NO.3C6H11N3.2C6H9NO.C5H10N4/c1-5(2)7-8-6(3)4-9-7;1-5(2)7-8-4-6(3)9-7;1-5(2)6-8-7-4-9(6)3;1-5(2)6-7-4-9(3)8-6;1-5(2)6-7-4-8-9(6)3;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-8-7-6;1-4(2)5-6-8-9(3)7-5/h5*4-5H,1-3H3;2*3-5H,1-2H3;4H,1-3H3.

What are the key properties of 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole?

4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole has a molecular weight of 974.32 g/mol, XLogP of 10.96, 8 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-2-propan-2-yl-1,3-oxazole;2-methyl-5-propan-2-yltetrazole;1-methyl-3-propan-2-yl-1,2,4-triazole;1-methyl-5-propan-2-yl-1,2,4-triazole;4-methyl-3-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1,3-oxazole;3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 159952878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).