3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide

C25H20N4O4 — CID 97446362

About 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide

3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97446362) has the molecular formula C25H20N4O4 and a molecular weight of 440.46 g/mol. Its IUPAC name is 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
• PubChem CID: 97446362
• Molecular Formula: C25H20N4O4
• Molecular Weight: 440.46 g/mol
• Exact Mass: 440.15
• IUPAC Name: 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
• SMILES: COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCCc5ccncc5)cc34)co2)c1
• InChI: InChI=1S/C25H20N4O4/c1-31-19-4-2-3-18(13-19)25-28-21(15-32-25)23-20-14-17(5-6-22(20)33-29-23)24(30)27-12-9-16-7-10-26-11-8-16/h2-8,10-11,13-15H,9,12H2,1H3,(H,27,30)
• InChIKey: MONLRHTVFQVRMK-UHFFFAOYSA-N
• XLogP: 4.53
• TPSA: 103.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.46
LogP ≤ 5	4.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?

The IUPAC name of 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide (CID 97446362) is 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide.

What is the SMILES notation for 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?

The canonical SMILES for 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide is COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCCc5ccncc5)cc34)co2)c1.

What is the InChIKey of 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?

The InChIKey is MONLRHTVFQVRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O4/c1-31-19-4-2-3-18(13-19)25-28-21(15-32-25)23-20-14-17(5-6-22(20)33-29-23)24(30)27-12-9-16-7-10-26-11-8-16/h2-8,10-11,13-15H,9,12H2,1H3,(H,27,30).

What are the key properties of 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide?

3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(3-methoxyphenyl)-1,3-oxazol-4-yl]-N-(2-pyridin-4-ylethyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97446362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).