3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide

C17H26N4O2 — CID 75373427

About 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide

3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 75373427) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide
• PubChem CID: 75373427
• Molecular Formula: C17H26N4O2
• Molecular Weight: 318.42 g/mol
• Exact Mass: 318.21
• IUPAC Name: 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide
• SMILES: CCC(C)c1cc(C(=O)NC(Cn2ccnc2)C(C)(C)C)on1
• InChI: InChI=1S/C17H26N4O2/c1-6-12(2)13-9-14(23-20-13)16(22)19-15(17(3,4)5)10-21-8-7-18-11-21/h7-9,11-12,15H,6,10H2,1-5H3,(H,19,22)
• InChIKey: AWODHISTUSTYMZ-UHFFFAOYSA-N
• XLogP: 3.23
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	318.42
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide?

The IUPAC name of 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide (CID 75373427) is 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide.

What is the SMILES notation for 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide?

The canonical SMILES for 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide is CCC(C)c1cc(C(=O)NC(Cn2ccnc2)C(C)(C)C)on1.

What is the InChIKey of 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide?

The InChIKey is AWODHISTUSTYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-6-12(2)13-9-14(23-20-13)16(22)19-15(17(3,4)5)10-21-8-7-18-11-21/h7-9,11-12,15H,6,10H2,1-5H3,(H,19,22).

What are the key properties of 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide?

3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-butan-2-yl-N-(1-imidazol-1-yl-3,3-dimethylbutan-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75373427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).