3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea

C23H24ClN5O4 — CID 50826749

About 3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea

3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea (PubChem CID 50826749) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea.

Molecular Properties

• Compound Name: 3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
• PubChem CID: 50826749
• Molecular Formula: C23H24ClN5O4
• Molecular Weight: 469.93 g/mol
• Exact Mass: 469.15
• IUPAC Name: 3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea
• SMILES: CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)Nc1ccc(Cl)cc1
• InChI: InChI=1S/C23H24ClN5O4/c1-28(23(31)25-19-8-6-18(24)7-9-19)11-10-20-26-21(33-27-20)16-2-4-17(5-3-16)22(30)29-12-14-32-15-13-29/h2-9H,10-15H2,1H3,(H,25,31)
• InChIKey: USWCAOLUGFELFF-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 100.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.93
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea (CID 50826749) is 3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea.

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

The canonical SMILES for 3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea is CN(CCc1noc(-c2ccc(C(=O)N3CCOCC3)cc2)n1)C(=O)Nc1ccc(Cl)cc1.

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

The InChIKey is USWCAOLUGFELFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c1-28(23(31)25-19-8-6-18(24)7-9-19)11-10-20-26-21(33-27-20)16-2-4-17(5-3-16)22(30)29-12-14-32-15-13-29/h2-9H,10-15H2,1H3,(H,25,31).

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

3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea has a molecular weight of 469.93 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chlorophenyl)-1-methyl-1-[2-[5-[4-(morpholine-4-carbonyl)phenyl]-1,2,4-oxadiazol-3-yl]ethyl]urea is sourced from PubChem (CID 50826749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).