5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C24H24N6O3 — CID 164765399

About 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 164765399) has the molecular formula C24H24N6O3 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 164765399
• Molecular Formula: C24H24N6O3
• Molecular Weight: 444.50 g/mol
• Exact Mass: 444.19
• IUPAC Name: 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)on3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C24H24N6O3/c1-14(2)30-23(25)21(24(26)32)22(28-30)17-10-8-15(9-11-17)12-20(31)27-19-13-18(33-29-19)16-6-4-3-5-7-16/h3-11,13-14H,12,25H2,1-2H3,(H2,26,32)(H,27,29,31)
• InChIKey: YZVJIYKPEBCPLC-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	444.50
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 164765399) is 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(-c4ccccc4)on3)cc2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is YZVJIYKPEBCPLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O3/c1-14(2)30-23(25)21(24(26)32)22(28-30)17-10-8-15(9-11-17)12-20(31)27-19-13-18(33-29-19)16-6-4-3-5-7-16/h3-11,13-14H,12,25H2,1-2H3,(H2,26,32)(H,27,29,31).

What are the key properties of 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 444.50 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[2-oxo-2-[(5-phenyl-1,2-oxazol-3-yl)amino]ethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 164765399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).