5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide

C23H27F3N6O3 — CID 163292126

About 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide

5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide (PubChem CID 163292126) has the molecular formula C23H27F3N6O3 and a molecular weight of 492.50 g/mol. Its IUPAC name is 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
• PubChem CID: 163292126
• Molecular Formula: C23H27F3N6O3
• Molecular Weight: 492.50 g/mol
• Exact Mass: 492.21
• IUPAC Name: 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide
• SMILES: CC(C)(C)n1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C(F)(F)F)on3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C23H27F3N6O3/c1-21(2,3)32-19(27)17(20(28)34)18(30-32)13-8-6-12(7-9-13)10-16(33)29-15-11-14(35-31-15)22(4,5)23(24,25)26/h6-9,11H,10,27H2,1-5H3,(H2,28,34)(H,29,31,33)
• InChIKey: AZYXCWJHDNUBIL-UHFFFAOYSA-N
• XLogP: 4.00
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.50
LogP ≤ 5	4.00
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide?

The IUPAC name of 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide (CID 163292126) is 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide?

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

What is the InChIKey of 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide?

The InChIKey is AZYXCWJHDNUBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O3/c1-21(2,3)32-19(27)17(20(28)34)18(30-32)13-8-6-12(7-9-13)10-16(33)29-15-11-14(35-31-15)22(4,5)23(24,25)26/h6-9,11H,10,27H2,1-5H3,(H2,28,34)(H,29,31,33).

What are the key properties of 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide?

5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide has a molecular weight of 492.50 g/mol, XLogP of 4.00, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-1-tert-butyl-3-[4-[2-oxo-2-[[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]amino]ethyl]phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 163292126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).