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

C23H26N4O3 — CID 7356916

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

1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 7356916) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
• PubChem CID: 7356916
• Molecular Formula: C23H26N4O3
• Molecular Weight: 406.49 g/mol
• Exact Mass: 406.20
• IUPAC Name: 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
• SMILES: COc1ccccc1NC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1
• InChI: InChI=1S/C23H26N4O3/c1-29-20-15-9-8-14-19(20)24-23(28)27(18-12-6-3-7-13-18)16-21-25-22(26-30-21)17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18H,3,6-7,12-13,16H2,1H3,(H,24,28)
• InChIKey: OPYKEYBFEHDLJR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.49
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 7356916) is 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea.

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

The canonical SMILES for 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea is COc1ccccc1NC(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1.

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

The InChIKey is OPYKEYBFEHDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-29-20-15-9-8-14-19(20)24-23(28)27(18-12-6-3-7-13-18)16-21-25-22(26-30-21)17-10-4-2-5-11-17/h2,4-5,8-11,14-15,18H,3,6-7,12-13,16H2,1H3,(H,24,28).

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

1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 406.49 g/mol, XLogP of 5.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 7356916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).