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

C25H23ClFN3O3 — CID 93308103

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

1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea (PubChem CID 93308103) has the molecular formula C25H23ClFN3O3 and a molecular weight of 467.93 g/mol. Its IUPAC name is 1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
• PubChem CID: 93308103
• Molecular Formula: C25H23ClFN3O3
• Molecular Weight: 467.93 g/mol
• Exact Mass: 467.14
• IUPAC Name: 1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea
• SMILES: COc1ccccc1NC(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1
• InChI: InChI=1S/C25H23ClFN3O3/c1-32-24-9-5-4-8-22(24)28-25(31)30(15-18-6-2-3-7-21(18)27)16-20-14-23(29-33-20)17-10-12-19(26)13-11-17/h2-13,20H,14-16H2,1H3,(H,28,31)/t20-/m1/s1
• InChIKey: SSDDXQQQVQCLQT-HXUWFJFHSA-N
• XLogP: 5.72
• TPSA: 63.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.93
LogP ≤ 5	5.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea (CID 93308103) is 1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea.

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

The canonical SMILES for 1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)N(Cc1ccccc1F)C[C@H]1CC(c2ccc(Cl)cc2)=NO1.

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

The InChIKey is SSDDXQQQVQCLQT-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H23ClFN3O3/c1-32-24-9-5-4-8-22(24)28-25(31)30(15-18-6-2-3-7-21(18)27)16-20-14-23(29-33-20)17-10-12-19(26)13-11-17/h2-13,20H,14-16H2,1H3,(H,28,31)/t20-/m1/s1.

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

1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea has a molecular weight of 467.93 g/mol, XLogP of 5.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[(5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1-[(2-fluorophenyl)methyl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 93308103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).