2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide

C25H24N6O4 — CID 90820920

About 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide

2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide (PubChem CID 90820920) has the molecular formula C25H24N6O4 and a molecular weight of 472.51 g/mol. Its IUPAC name is 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide
• PubChem CID: 90820920
• Molecular Formula: C25H24N6O4
• Molecular Weight: 472.51 g/mol
• Exact Mass: 472.19
• IUPAC Name: 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide
• SMILES: COc1cc(Nc2ncc(-c3ccccc3N3C=CN(C)C3CC(N)=O)o2)ccc1-c1cnco1
• InChI: InChI=1S/C25H24N6O4/c1-30-9-10-31(24(30)12-23(26)32)19-6-4-3-5-17(19)22-14-28-25(35-22)29-16-7-8-18(20(11-16)33-2)21-13-27-15-34-21/h3-11,13-15,24H,12H2,1-2H3,(H2,26,32)(H,28,29)
• InChIKey: MQBDGJUQOAZAFU-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 122.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.51
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide?

The IUPAC name of 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide (CID 90820920) is 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide.

What is the SMILES notation for 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide?

The canonical SMILES for 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide is COc1cc(Nc2ncc(-c3ccccc3N3C=CN(C)C3CC(N)=O)o2)ccc1-c1cnco1.

What is the InChIKey of 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide?

The InChIKey is MQBDGJUQOAZAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O4/c1-30-9-10-31(24(30)12-23(26)32)19-6-4-3-5-17(19)22-14-28-25(35-22)29-16-7-8-18(20(11-16)33-2)21-13-27-15-34-21/h3-11,13-15,24H,12H2,1-2H3,(H2,26,32)(H,28,29).

What are the key properties of 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide?

2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide has a molecular weight of 472.51 g/mol, XLogP of 4.17, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-[2-[3-methoxy-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-methyl-2H-imidazol-2-yl]acetamide is sourced from PubChem (CID 90820920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).