3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

C17H24N4O3 — CID 72869575

About 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea

3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (PubChem CID 72869575) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

Molecular Properties

• Compound Name: 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
• PubChem CID: 72869575
• Molecular Formula: C17H24N4O3
• Molecular Weight: 332.40 g/mol
• Exact Mass: 332.18
• IUPAC Name: 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
• SMILES: COc1ccc(C(C)(C)C)cc1NC(=O)N(C)Cc1noc(C)n1
• InChI: InChI=1S/C17H24N4O3/c1-11-18-15(20-24-11)10-21(5)16(22)19-13-9-12(17(2,3)4)7-8-14(13)23-6/h7-9H,10H2,1-6H3,(H,19,22)
• InChIKey: MXZBEPGAUOUBEC-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.40
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The IUPAC name of 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea (CID 72869575) is 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea.

What is the SMILES notation for 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The canonical SMILES for 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is COc1ccc(C(C)(C)C)cc1NC(=O)N(C)Cc1noc(C)n1.

What is the InChIKey of 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

The InChIKey is MXZBEPGAUOUBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-11-18-15(20-24-11)10-21(5)16(22)19-13-9-12(17(2,3)4)7-8-14(13)23-6/h7-9H,10H2,1-6H3,(H,19,22).

What are the key properties of 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea?

3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea has a molecular weight of 332.40 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-tert-butyl-2-methoxyphenyl)-1-methyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea is sourced from PubChem (CID 72869575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).