1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea

C24H19ClN4O3 — CID 26791772

About 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea

1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea (PubChem CID 26791772) has the molecular formula C24H19ClN4O3 and a molecular weight of 446.89 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea.

Molecular Properties

• Compound Name: 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
• PubChem CID: 26791772
• Molecular Formula: C24H19ClN4O3
• Molecular Weight: 446.89 g/mol
• Exact Mass: 446.11
• IUPAC Name: 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea
• SMILES: CC(=O)c1cccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1
• InChI: InChI=1S/C24H19ClN4O3/c1-15(30)18-8-5-9-20(14-18)26-24(31)27-21(16-6-3-2-4-7-16)23-29-28-22(32-23)17-10-12-19(25)13-11-17/h2-14,21H,1H3,(H2,26,27,31)/t21-/m1/s1
• InChIKey: RXLZHJBMXRVIKI-OAQYLSRUSA-N
• XLogP: 5.50
• TPSA: 97.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	446.89
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea?

The IUPAC name of 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea (CID 26791772) is 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea.

What is the SMILES notation for 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea?

The canonical SMILES for 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea is CC(=O)c1cccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1.

What is the InChIKey of 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea?

The InChIKey is RXLZHJBMXRVIKI-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H19ClN4O3/c1-15(30)18-8-5-9-20(14-18)26-24(31)27-21(16-6-3-2-4-7-16)23-29-28-22(32-23)17-10-12-19(25)13-11-17/h2-14,21H,1H3,(H2,26,27,31)/t21-/m1/s1.

What are the key properties of 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea?

1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea has a molecular weight of 446.89 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-acetylphenyl)-3-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]urea is sourced from PubChem (CID 26791772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).