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

C24H21ClN4O2 — CID 92750550

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

1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea (PubChem CID 92750550) has the molecular formula C24H21ClN4O2 and a molecular weight of 432.91 g/mol. Its IUPAC name is 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea.

Molecular Properties

• Compound Name: 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea
• PubChem CID: 92750550
• Molecular Formula: C24H21ClN4O2
• Molecular Weight: 432.91 g/mol
• Exact Mass: 432.14
• IUPAC Name: 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea
• SMILES: Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1
• InChI: InChI=1S/C24H21ClN4O2/c1-16-7-9-17(10-8-16)15-26-24(30)27-21(18-5-3-2-4-6-18)23-29-28-22(31-23)19-11-13-20(25)14-12-19/h2-14,21H,15H2,1H3,(H2,26,27,30)/t21-/m1/s1
• InChIKey: AHCAAEUXDSRUEX-OAQYLSRUSA-N
• XLogP: 5.29
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	432.91
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea (CID 92750550) is 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea.

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

The canonical SMILES for 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea is Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1.

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

The InChIKey is AHCAAEUXDSRUEX-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21ClN4O2/c1-16-7-9-17(10-8-16)15-26-24(30)27-21(18-5-3-2-4-6-18)23-29-28-22(31-23)19-11-13-20(25)14-12-19/h2-14,21H,15H2,1H3,(H2,26,27,30)/t21-/m1/s1.

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

1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea has a molecular weight of 432.91 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-[(4-methylphenyl)methyl]urea is sourced from PubChem (CID 92750550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).