3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea

C19H25ClN4O2 — CID 53055086

About 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea

3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea (PubChem CID 53055086) has the molecular formula C19H25ClN4O2 and a molecular weight of 376.89 g/mol. Its IUPAC name is 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea.

Molecular Properties

• Compound Name: 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea
• PubChem CID: 53055086
• Molecular Formula: C19H25ClN4O2
• Molecular Weight: 376.89 g/mol
• Exact Mass: 376.17
• IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea
• SMILES: Cc1ccc(NC(=O)N(C)CCc2noc(C3CCCCC3)n2)cc1Cl
• InChI: InChI=1S/C19H25ClN4O2/c1-13-8-9-15(12-16(13)20)21-19(25)24(2)11-10-17-22-18(26-23-17)14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,21,25)
• InChIKey: VEIYDGMBWVJRAI-UHFFFAOYSA-N
• XLogP: 4.79
• TPSA: 71.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.89
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea?

The IUPAC name of 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea (CID 53055086) is 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea.

What is the SMILES notation for 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea?

The canonical SMILES for 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea is Cc1ccc(NC(=O)N(C)CCc2noc(C3CCCCC3)n2)cc1Cl.

What is the InChIKey of 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea?

The InChIKey is VEIYDGMBWVJRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O2/c1-13-8-9-15(12-16(13)20)21-19(25)24(2)11-10-17-22-18(26-23-17)14-6-4-3-5-7-14/h8-9,12,14H,3-7,10-11H2,1-2H3,(H,21,25).

What are the key properties of 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea?

3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea has a molecular weight of 376.89 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-chloro-4-methylphenyl)-1-[2-(5-cyclohexyl-1,2,4-oxadiazol-3-yl)ethyl]-1-methylurea is sourced from PubChem (CID 53055086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).