1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea

C23H31N3O4 — CID 162798652

About 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea

1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea (PubChem CID 162798652) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea
• PubChem CID: 162798652
• Molecular Formula: C23H31N3O4
• Molecular Weight: 413.52 g/mol
• Exact Mass: 413.23
• IUPAC Name: 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea
• SMILES: O=C(NCC1OC(Cc2cc(-c3ccccc3)on2)CCC1O)NC1CCCCC1
• InChI: InChI=1S/C23H31N3O4/c27-20-12-11-19(13-18-14-21(30-26-18)16-7-3-1-4-8-16)29-22(20)15-24-23(28)25-17-9-5-2-6-10-17/h1,3-4,7-8,14,17,19-20,22,27H,2,5-6,9-13,15H2,(H2,24,25,28)
• InChIKey: DGQUVWZKGZHSNO-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 96.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.52
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea?

The IUPAC name of 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea (CID 162798652) is 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea.

What is the SMILES notation for 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea?

The canonical SMILES for 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea is O=C(NCC1OC(Cc2cc(-c3ccccc3)on2)CCC1O)NC1CCCCC1.

What is the InChIKey of 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea?

The InChIKey is DGQUVWZKGZHSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c27-20-12-11-19(13-18-14-21(30-26-18)16-7-3-1-4-8-16)29-22(20)15-24-23(28)25-17-9-5-2-6-10-17/h1,3-4,7-8,14,17,19-20,22,27H,2,5-6,9-13,15H2,(H2,24,25,28).

What are the key properties of 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea?

1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea has a molecular weight of 413.52 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-cyclohexyl-3-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]urea is sourced from PubChem (CID 162798652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).