[2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate

C26H28N6O5 — CID 123448069

About [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate

[2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate (PubChem CID 123448069) has the molecular formula C26H28N6O5 and a molecular weight of 504.55 g/mol. Its IUPAC name is [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate
• PubChem CID: 123448069
• Molecular Formula: C26H28N6O5
• Molecular Weight: 504.55 g/mol
• Exact Mass: 504.21
• IUPAC Name: [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate
• SMILES: Cc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C4CC4OC(=O)C(C)(C)C)co3)n2)c1
• InChI: InChI=1S/C26H28N6O5/c1-14-7-6-8-16(9-14)23-22(28-15(2)36-23)24(33)30-20-11-27-32(31-20)12-21-29-18(13-35-21)17-10-19(17)37-25(34)26(3,4)5/h6-9,11,13,17,19H,10,12H2,1-5H3,(H,30,31,33)
• InChIKey: XHHJIUJKNYYTAF-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 138.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.55
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate?

The IUPAC name of [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate (CID 123448069) is [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate.

What is the SMILES notation for [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate?

The canonical SMILES for [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate is Cc1cccc(-c2oc(C)nc2C(=O)Nc2cnn(Cc3nc(C4CC4OC(=O)C(C)(C)C)co3)n2)c1.

What is the InChIKey of [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate?

The InChIKey is XHHJIUJKNYYTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O5/c1-14-7-6-8-16(9-14)23-22(28-15(2)36-23)24(33)30-20-11-27-32(31-20)12-21-29-18(13-35-21)17-10-19(17)37-25(34)26(3,4)5/h6-9,11,13,17,19H,10,12H2,1-5H3,(H,30,31,33).

What are the key properties of [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate?

[2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate has a molecular weight of 504.55 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[[4-[[2-methyl-5-(3-methylphenyl)-1,3-oxazole-4-carbonyl]amino]triazol-2-yl]methyl]-1,3-oxazol-4-yl]cyclopropyl] 2,2-dimethylpropanoate is sourced from PubChem (CID 123448069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).