2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one

C23H25N7O4 — CID 136506707

About 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one

2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one (PubChem CID 136506707) has the molecular formula C23H25N7O4 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one.

Molecular Properties

• Compound Name: 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one
• PubChem CID: 136506707
• Molecular Formula: C23H25N7O4
• Molecular Weight: 463.50 g/mol
• Exact Mass: 463.20
• IUPAC Name: 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one
• SMILES: Cc1ccc(OCCN2CCOCC2)cc1Nc1ncc(-c2ccnc(-n3nc[nH]c3=O)c2)o1
• InChI: InChI=1S/C23H25N7O4/c1-16-2-3-18(33-11-8-29-6-9-32-10-7-29)13-19(16)28-22-25-14-20(34-22)17-4-5-24-21(12-17)30-23(31)26-15-27-30/h2-5,12-15H,6-11H2,1H3,(H,25,28)(H,26,27,31)
• InChIKey: HUHYQYZWEZTPRY-UHFFFAOYSA-N
• XLogP: 2.37
• TPSA: 123.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	463.50
LogP ≤ 5	2.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one?

The IUPAC name of 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one (CID 136506707) is 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one.

What is the SMILES notation for 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one?

The canonical SMILES for 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one is Cc1ccc(OCCN2CCOCC2)cc1Nc1ncc(-c2ccnc(-n3nc[nH]c3=O)c2)o1.

What is the InChIKey of 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one?

The InChIKey is HUHYQYZWEZTPRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4/c1-16-2-3-18(33-11-8-29-6-9-32-10-7-29)13-19(16)28-22-25-14-20(34-22)17-4-5-24-21(12-17)30-23(31)26-15-27-30/h2-5,12-15H,6-11H2,1H3,(H,25,28)(H,26,27,31).

What are the key properties of 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one?

2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one has a molecular weight of 463.50 g/mol, XLogP of 2.37, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[2-[2-methyl-5-(2-morpholin-4-ylethoxy)anilino]-1,3-oxazol-5-yl]-2-pyridinyl]-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136506707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).