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

C24H21ClN4O4 — CID 26791796

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

1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea (PubChem CID 26791796) has the molecular formula C24H21ClN4O4 and a molecular weight of 464.91 g/mol. Its IUPAC name is 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea
• PubChem CID: 26791796
• Molecular Formula: C24H21ClN4O4
• Molecular Weight: 464.91 g/mol
• Exact Mass: 464.13
• IUPAC Name: 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea
• SMILES: COc1cc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc(OC)c1
• InChI: InChI=1S/C24H21ClN4O4/c1-31-19-12-18(13-20(14-19)32-2)26-24(30)27-21(15-6-4-3-5-7-15)23-29-28-22(33-23)16-8-10-17(25)11-9-16/h3-14,21H,1-2H3,(H2,26,27,30)/t21-/m1/s1
• InChIKey: IOLBRBJAZXWWKN-OAQYLSRUSA-N
• XLogP: 5.32
• TPSA: 98.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.91
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea (CID 26791796) is 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea.

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

The canonical SMILES for 1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea is COc1cc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc(OC)c1.

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

The InChIKey is IOLBRBJAZXWWKN-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H21ClN4O4/c1-31-19-12-18(13-20(14-19)32-2)26-24(30)27-21(15-6-4-3-5-7-15)23-29-28-22(33-23)16-8-10-17(25)11-9-16/h3-14,21H,1-2H3,(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-(3,5-dimethoxyphenyl)urea?

1-[(R)-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-phenylmethyl]-3-(3,5-dimethoxyphenyl)urea has a molecular weight of 464.91 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 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-(3,5-dimethoxyphenyl)urea is sourced from PubChem (CID 26791796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).