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

C21H30N4O3 — CID 126789590

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

1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea (PubChem CID 126789590) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea.

Molecular Properties

• Compound Name: 1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea
• PubChem CID: 126789590
• Molecular Formula: C21H30N4O3
• Molecular Weight: 386.50 g/mol
• Exact Mass: 386.23
• IUPAC Name: 1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea
• SMILES: CCc1noc(-c2ccc(C)c(NC(=O)NC(CCO)C3CCCCC3)c2)n1
• InChI: InChI=1S/C21H30N4O3/c1-3-19-24-20(28-25-19)16-10-9-14(2)18(13-16)23-21(27)22-17(11-12-26)15-7-5-4-6-8-15/h9-10,13,15,17,26H,3-8,11-12H2,1-2H3,(H2,22,23,27)
• InChIKey: BMERVNZXZZXDEU-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 100.28 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.50
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea (CID 126789590) is 1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea.

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

The canonical SMILES for 1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea is CCc1noc(-c2ccc(C)c(NC(=O)NC(CCO)C3CCCCC3)c2)n1.

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

The InChIKey is BMERVNZXZZXDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-3-19-24-20(28-25-19)16-10-9-14(2)18(13-16)23-21(27)22-17(11-12-26)15-7-5-4-6-8-15/h9-10,13,15,17,26H,3-8,11-12H2,1-2H3,(H2,22,23,27).

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

1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea has a molecular weight of 386.50 g/mol, XLogP of 4.06, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1-cyclohexyl-3-hydroxypropyl)-3-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]urea is sourced from PubChem (CID 126789590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).