5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

C23H26N6O3 — CID 163292023

About 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (PubChem CID 163292023) has the molecular formula C23H26N6O3 and a molecular weight of 434.50 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• PubChem CID: 163292023
• Molecular Formula: C23H26N6O3
• Molecular Weight: 434.50 g/mol
• Exact Mass: 434.21
• IUPAC Name: 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide
• SMILES: CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C45CC(C4)C5)no3)cc2)c(C(N)=O)c1N
• InChI: InChI=1S/C23H26N6O3/c1-12(2)29-21(24)19(22(25)31)20(27-29)15-5-3-13(4-6-15)7-17(30)26-18-8-16(28-32-18)23-9-14(10-23)11-23/h3-6,8,12,14H,7,9-11,24H2,1-2H3,(H2,25,31)(H,26,30)
• InChIKey: NGHJDZBGKOQFMK-UHFFFAOYSA-N
• XLogP: 3.03
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.50
LogP ≤ 5	3.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide (CID 163292023) is 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is CC(C)n1nc(-c2ccc(CC(=O)Nc3cc(C45CC(C4)C5)no3)cc2)c(C(N)=O)c1N.

What is the InChIKey of 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

The InChIKey is NGHJDZBGKOQFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O3/c1-12(2)29-21(24)19(22(25)31)20(27-29)15-5-3-13(4-6-15)7-17(30)26-18-8-16(28-32-18)23-9-14(10-23)11-23/h3-6,8,12,14H,7,9-11,24H2,1-2H3,(H2,25,31)(H,26,30).

What are the key properties of 5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide?

5-amino-3-[4-[2-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 434.50 g/mol, XLogP of 3.03, 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-[[3-(1-bicyclo[1.1.1]pentanyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 163292023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).