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

C24H27N3O5 — CID 162789688

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

1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea (PubChem CID 162789688) has the molecular formula C24H27N3O5 and a molecular weight of 437.50 g/mol. Its IUPAC name is 1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea
• PubChem CID: 162789688
• Molecular Formula: C24H27N3O5
• Molecular Weight: 437.50 g/mol
• Exact Mass: 437.20
• IUPAC Name: 1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea
• SMILES: COc1cccc(NC(=O)NCC2OC(Cc3cc(-c4ccccc4)on3)CCC2O)c1
• InChI: InChI=1S/C24H27N3O5/c1-30-19-9-5-8-17(12-19)26-24(29)25-15-23-21(28)11-10-20(31-23)13-18-14-22(32-27-18)16-6-3-2-4-7-16/h2-9,12,14,20-21,23,28H,10-11,13,15H2,1H3,(H2,25,26,29)
• InChIKey: UHLJSDWMQRPMPK-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 105.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.50
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea (CID 162789688) is 1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea.

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

The canonical SMILES for 1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)NCC2OC(Cc3cc(-c4ccccc4)on3)CCC2O)c1.

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

The InChIKey is UHLJSDWMQRPMPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O5/c1-30-19-9-5-8-17(12-19)26-24(29)25-15-23-21(28)11-10-20(31-23)13-18-14-22(32-27-18)16-6-3-2-4-7-16/h2-9,12,14,20-21,23,28H,10-11,13,15H2,1H3,(H2,25,26,29).

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

1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 437.50 g/mol, XLogP of 3.62, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-hydroxy-6-[(5-phenyl-1,2-oxazol-3-yl)methyl]oxan-2-yl]methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 162789688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).