3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide

C26H24F2N4O2 — CID 52516791

About 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide (PubChem CID 52516791) has the molecular formula C26H24F2N4O2 and a molecular weight of 462.50 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide.

Molecular Properties

• Compound Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide
• PubChem CID: 52516791
• Molecular Formula: C26H24F2N4O2
• Molecular Weight: 462.50 g/mol
• Exact Mass: 462.19
• IUPAC Name: 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide
• SMILES: Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1
• InChI: InChI=1S/C26H24F2N4O2/c1-16-14-30-32(21-11-4-7-17-6-2-3-8-18(17)21)26(16)31-23(33)12-13-24-29-15-22(34-24)25-19(27)9-5-10-20(25)28/h2-3,5-6,8-10,14-15,21H,4,7,11-13H2,1H3,(H,31,33)/t21-/m1/s1
• InChIKey: UJXMLPRXRKIPLX-OAQYLSRUSA-N
• XLogP: 5.62
• TPSA: 72.95 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	462.50
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide?

The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide (CID 52516791) is 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide.

What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide?

The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide is Cc1cnn([C@@H]2CCCc3ccccc32)c1NC(=O)CCc1ncc(-c2c(F)cccc2F)o1.

What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide?

The InChIKey is UJXMLPRXRKIPLX-OAQYLSRUSA-N. The full InChI is InChI=1S/C26H24F2N4O2/c1-16-14-30-32(21-11-4-7-17-6-2-3-8-18(17)21)26(16)31-23(33)12-13-24-29-15-22(34-24)25-19(27)9-5-10-20(25)28/h2-3,5-6,8-10,14-15,21H,4,7,11-13H2,1H3,(H,31,33)/t21-/m1/s1.

What are the key properties of 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide?

3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide has a molecular weight of 462.50 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[4-methyl-1-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazol-5-yl]propanamide is sourced from PubChem (CID 52516791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).