1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea

C23H19ClN4O3 — CID 28814790

About 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea

1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea (PubChem CID 28814790) has the molecular formula C23H19ClN4O3 and a molecular weight of 434.88 g/mol. Its IUPAC name is 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea.

Molecular Properties

• Compound Name: 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea
• PubChem CID: 28814790
• Molecular Formula: C23H19ClN4O3
• Molecular Weight: 434.88 g/mol
• Exact Mass: 434.11
• IUPAC Name: 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea
• SMILES: COc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1
• InChI: InChI=1S/C23H19ClN4O3/c1-30-19-9-5-8-18(14-19)25-23(29)26-20(15-10-12-17(24)13-11-15)22-28-27-21(31-22)16-6-3-2-4-7-16/h2-14,20H,1H3,(H2,25,26,29)/t20-/m0/s1
• InChIKey: DSJOVMDVTCJZDS-FQEVSTJZSA-N
• XLogP: 5.31
• TPSA: 89.28 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.88
LogP ≤ 5	5.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea?

The IUPAC name of 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea (CID 28814790) is 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea.

What is the SMILES notation for 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea?

The canonical SMILES for 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea is COc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1.

What is the InChIKey of 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea?

The InChIKey is DSJOVMDVTCJZDS-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19ClN4O3/c1-30-19-9-5-8-18(14-19)25-23(29)26-20(15-10-12-17(24)13-11-15)22-28-27-21(31-22)16-6-3-2-4-7-16/h2-14,20H,1H3,(H2,25,26,29)/t20-/m0/s1.

What are the key properties of 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea?

1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea has a molecular weight of 434.88 g/mol, XLogP of 5.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(S)-(4-chlorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-3-(3-methoxyphenyl)urea is sourced from PubChem (CID 28814790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).