3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol

C60H107N19O4 — CID 160756156

About 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol (PubChem CID 160756156) has the molecular formula C60H107N19O4 and a molecular weight of 1158.64 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol
• PubChem CID: 160756156
• Molecular Formula: C60H107N19O4
• Molecular Weight: 1158.64 g/mol
• Exact Mass: 1157.88
• IUPAC Name: 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol
• SMILES: CC(C)c1c(CO)ncn1C.CC(C)c1c(CO)nnn1C.CCc1onc(C)c1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nnn(C)c1C(C)C.Cc1noc(C)c1C(C)C
• InChI: InChI=1S/C9H15NO.C8H14N2O.C8H13NO.C7H13N3O.4C7H13N3/c1-5-8-9(6(2)3)7(4)10-11-8;1-6(2)8-7(4-11)9-5-10(8)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-6(4-11)8-9-10(7)3;4*1-5(2)7-6(3)8-9-10(7)4/h6H,5H2,1-4H3;5-6,11H,4H2,1-3H3;5H,1-4H3;5,11H,4H2,1-3H3;4*5H,1-4H3
• InChIKey: RXLPODVGLUGNCY-UHFFFAOYSA-N
• XLogP: 11.54
• TPSA: 263.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.64
LogP ≤ 5	11.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol?

The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol (CID 160756156) is 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol.

What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol?

The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol is CC(C)c1c(CO)ncn1C.CC(C)c1c(CO)nnn1C.CCc1onc(C)c1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nnn(C)c1C(C)C.Cc1nnn(C)c1C(C)C.Cc1noc(C)c1C(C)C.

What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol?

The InChIKey is RXLPODVGLUGNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C8H14N2O.C8H13NO.C7H13N3O.4C7H13N3/c1-5-8-9(6(2)3)7(4)10-11-8;1-6(2)8-7(4-11)9-5-10(8)3;1-5(2)8-6(3)9-10-7(8)4;1-5(2)7-6(4-11)8-9-10(7)3;4*1-5(2)7-6(3)8-9-10(7)4/h6H,5H2,1-4H3;5-6,11H,4H2,1-3H3;5H,1-4H3;5,11H,4H2,1-3H3;4*5H,1-4H3.

What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol?

3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol has a molecular weight of 1158.64 g/mol, XLogP of 11.54, 11 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-propan-2-yl-1,2-oxazole;tetrakis(1,4-dimethyl-5-propan-2-yltriazole);5-ethyl-3-methyl-4-propan-2-yl-1,2-oxazole;(1-methyl-5-propan-2-ylimidazol-4-yl)methanol;(1-methyl-5-propan-2-yltriazol-4-yl)methanol is sourced from PubChem (CID 160756156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).