1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea

C24H28N4O4 — CID 17275257

About 1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea

1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea (PubChem CID 17275257) has the molecular formula C24H28N4O4 and a molecular weight of 436.51 g/mol. Its IUPAC name is 1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea.

Molecular Properties

• Compound Name: 1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea
• PubChem CID: 17275257
• Molecular Formula: C24H28N4O4
• Molecular Weight: 436.51 g/mol
• Exact Mass: 436.21
• IUPAC Name: 1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea
• SMILES: COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3)C3CCCCC3)n2)cc1OC
• InChI: InChI=1S/C24H28N4O4/c1-30-20-14-13-17(15-21(20)31-2)23-26-22(32-27-23)16-28(19-11-7-4-8-12-19)24(29)25-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,19H,4,7-8,11-12,16H2,1-2H3,(H,25,29)
• InChIKey: MOJXQQGJMWFPAX-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 89.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	436.51
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea (CID 17275257) is 1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea.

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

The canonical SMILES for 1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea is COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3)C3CCCCC3)n2)cc1OC.

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

The InChIKey is MOJXQQGJMWFPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4/c1-30-20-14-13-17(15-21(20)31-2)23-26-22(32-27-23)16-28(19-11-7-4-8-12-19)24(29)25-18-9-5-3-6-10-18/h3,5-6,9-10,13-15,19H,4,7-8,11-12,16H2,1-2H3,(H,25,29).

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

1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea has a molecular weight of 436.51 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-phenylurea is sourced from PubChem (CID 17275257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).