2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide

C21H22F2N4O5 — CID 175553183

About 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide

2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide (PubChem CID 175553183) has the molecular formula C21H22F2N4O5 and a molecular weight of 448.43 g/mol. Its IUPAC name is 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide.

Molecular Properties

• Compound Name: 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide
• PubChem CID: 175553183
• Molecular Formula: C21H22F2N4O5
• Molecular Weight: 448.43 g/mol
• Exact Mass: 448.16
• IUPAC Name: 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide
• SMILES: CC(C)Oc1cc(-c2nc(CC3(C(N)=O)C=CC(C(N)=O)=CN3)co2)ccc1OC(F)F
• InChI: InChI=1S/C21H22F2N4O5/c1-11(2)31-16-7-12(3-4-15(16)32-20(22)23)18-27-14(10-30-18)8-21(19(25)29)6-5-13(9-26-21)17(24)28/h3-7,9-11,20,26H,8H2,1-2H3,(H2,24,28)(H2,25,29)
• InChIKey: IDJCNZBCSJKMBL-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 142.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.43
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide?

The IUPAC name of 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide (CID 175553183) is 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide.

What is the SMILES notation for 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide?

The canonical SMILES for 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide is CC(C)Oc1cc(-c2nc(CC3(C(N)=O)C=CC(C(N)=O)=CN3)co2)ccc1OC(F)F.

What is the InChIKey of 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide?

The InChIKey is IDJCNZBCSJKMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O5/c1-11(2)31-16-7-12(3-4-15(16)32-20(22)23)18-27-14(10-30-18)8-21(19(25)29)6-5-13(9-26-21)17(24)28/h3-7,9-11,20,26H,8H2,1-2H3,(H2,24,28)(H2,25,29).

What are the key properties of 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide?

2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide has a molecular weight of 448.43 g/mol, XLogP of 2.03, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[2-[4-(difluoromethoxy)-3-propan-2-yloxyphenyl]-1,3-oxazol-4-yl]methyl]-1H-pyridine-2,5-dicarboxamide is sourced from PubChem (CID 175553183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).