[3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate

C24H22N4O5 — CID 90973440

About [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate

[3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate (PubChem CID 90973440) has the molecular formula C24H22N4O5 and a molecular weight of 446.46 g/mol. Its IUPAC name is [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate.

Molecular Properties

• Compound Name: [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate
• PubChem CID: 90973440
• Molecular Formula: C24H22N4O5
• Molecular Weight: 446.46 g/mol
• Exact Mass: 446.16
• IUPAC Name: [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate
• SMILES: CC(=O)OCC(C(N)=O)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(C)c2)o1
• InChI: InChI=1S/C24H22N4O5/c1-14-9-16(7-8-17(14)21-10-26-13-32-21)28-24-27-11-22(33-24)19-6-4-3-5-18(19)20(23(25)30)12-31-15(2)29/h3-11,13,20H,12H2,1-2H3,(H2,25,30)(H,27,28)
• InChIKey: ZERWUHUIHSZTMK-UHFFFAOYSA-N
• XLogP: 4.18
• TPSA: 133.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.46
LogP ≤ 5	4.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate?

The IUPAC name of [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate (CID 90973440) is [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate.

What is the SMILES notation for [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate?

The canonical SMILES for [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate is CC(=O)OCC(C(N)=O)c1ccccc1-c1cnc(Nc2ccc(-c3cnco3)c(C)c2)o1.

What is the InChIKey of [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate?

The InChIKey is ZERWUHUIHSZTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O5/c1-14-9-16(7-8-17(14)21-10-26-13-32-21)28-24-27-11-22(33-24)19-6-4-3-5-18(19)20(23(25)30)12-31-15(2)29/h3-11,13,20H,12H2,1-2H3,(H2,25,30)(H,27,28).

What are the key properties of [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate?

[3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate has a molecular weight of 446.46 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-amino-2-[2-[2-[3-methyl-4-(1,3-oxazol-5-yl)anilino]-1,3-oxazol-5-yl]phenyl]-3-oxopropyl] acetate is sourced from PubChem (CID 90973440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).