1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

C17H19N3O4 — CID 124721358

About 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea

1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (PubChem CID 124721358) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.

Molecular Properties

• Compound Name: 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
• PubChem CID: 124721358
• Molecular Formula: C17H19N3O4
• Molecular Weight: 329.36 g/mol
• Exact Mass: 329.14
• IUPAC Name: 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
• SMILES: COc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccco3)C2)cc1
• InChI: InChI=1S/C17H19N3O4/c1-22-13-6-4-12(5-7-13)16-9-15(24-20-16)11-19-17(21)18-10-14-3-2-8-23-14/h2-8,15H,9-11H2,1H3,(H2,18,19,21)/t15-/m1/s1
• InChIKey: ABVOPVNMQQIUHN-OAHLLOKOSA-N
• XLogP: 2.28
• TPSA: 85.09 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.36
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?

The IUPAC name of 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea (CID 124721358) is 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea.

What is the SMILES notation for 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?

The canonical SMILES for 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is COc1ccc(C2=NO[C@@H](CNC(=O)NCc3ccco3)C2)cc1.

What is the InChIKey of 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?

The InChIKey is ABVOPVNMQQIUHN-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-22-13-6-4-12(5-7-13)16-9-15(24-20-16)11-19-17(21)18-10-14-3-2-8-23-14/h2-8,15H,9-11H2,1H3,(H2,18,19,21)/t15-/m1/s1.

What are the key properties of 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea?

1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea has a molecular weight of 329.36 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(furan-2-ylmethyl)-3-[[(5R)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea is sourced from PubChem (CID 124721358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).