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

C24H23N5O3 — CID 90562676

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

1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (PubChem CID 90562676) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

Molecular Properties

• Compound Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
• PubChem CID: 90562676
• Molecular Formula: C24H23N5O3
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.18
• IUPAC Name: 1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea
• SMILES: COc1ccc(CCNC(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)cc1
• InChI: InChI=1S/C24H23N5O3/c1-31-20-10-8-17(9-11-20)12-14-26-24(30)27-21-7-3-2-5-18(21)15-22-28-23(29-32-22)19-6-4-13-25-16-19/h2-11,13,16H,12,14-15H2,1H3,(H2,26,27,30)
• InChIKey: WSUWCAOEXJVUFG-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 102.17 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea (CID 90562676) is 1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea.

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

The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is COc1ccc(CCNC(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)cc1.

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

The InChIKey is WSUWCAOEXJVUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-31-20-10-8-17(9-11-20)12-14-26-24(30)27-21-7-3-2-5-18(21)15-22-28-23(29-32-22)19-6-4-13-25-16-19/h2-11,13,16H,12,14-15H2,1H3,(H2,26,27,30).

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

1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea has a molecular weight of 429.48 g/mol, XLogP of 4.10, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(4-methoxyphenyl)ethyl]-3-[2-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]urea is sourced from PubChem (CID 90562676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).