N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C23H28N4O4 — CID 59392516

About N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide

N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 59392516) has the molecular formula C23H28N4O4 and a molecular weight of 424.50 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• PubChem CID: 59392516
• Molecular Formula: C23H28N4O4
• Molecular Weight: 424.50 g/mol
• Exact Mass: 424.21
• IUPAC Name: N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
• SMILES: Cc1cc(-c2nc(-c3ccc(CC(=O)NC(CO)CO)cc3)no2)cnc1CC(C)C
• InChI: InChI=1S/C23H28N4O4/c1-14(2)8-20-15(3)9-18(11-24-20)23-26-22(27-31-23)17-6-4-16(5-7-17)10-21(30)25-19(12-28)13-29/h4-7,9,11,14,19,28-29H,8,10,12-13H2,1-3H3,(H,25,30)
• InChIKey: GSSZVBULQXFIDX-UHFFFAOYSA-N
• XLogP: 2.32
• TPSA: 121.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.50
LogP ≤ 5	2.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 59392516) is N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is Cc1cc(-c2nc(-c3ccc(CC(=O)NC(CO)CO)cc3)no2)cnc1CC(C)C.

What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

The InChIKey is GSSZVBULQXFIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O4/c1-14(2)8-20-15(3)9-18(11-24-20)23-26-22(27-31-23)17-6-4-16(5-7-17)10-21(30)25-19(12-28)13-29/h4-7,9,11,14,19,28-29H,8,10,12-13H2,1-3H3,(H,25,30).

What are the key properties of N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide?

N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 424.50 g/mol, XLogP of 2.32, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1,3-dihydroxypropan-2-yl)-2-[4-[5-[5-methyl-6-(2-methylpropyl)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 59392516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).