5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

C17H21FN4O3 — CID 125010520

About 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide

5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 125010520) has the molecular formula C17H21FN4O3 and a molecular weight of 348.38 g/mol. Its IUPAC name is 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 125010520
• Molecular Formula: C17H21FN4O3
• Molecular Weight: 348.38 g/mol
• Exact Mass: 348.16
• IUPAC Name: 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
• SMILES: CCc1cc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)no1
• InChI: InChI=1S/C17H21FN4O3/c1-2-13-8-14(21-25-13)16(23)20-10-17(24)6-3-7-22(11-17)15-5-4-12(18)9-19-15/h4-5,8-9,24H,2-3,6-7,10-11H2,1H3,(H,20,23)/t17-/m1/s1
• InChIKey: VJXRXEWKEDWFQP-QGZVFWFLSA-N
• XLogP: 1.53
• TPSA: 91.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.38
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide (CID 125010520) is 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)NC[C@]2(O)CCCN(c3ccc(F)cn3)C2)no1.

What is the InChIKey of 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?

The InChIKey is VJXRXEWKEDWFQP-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21FN4O3/c1-2-13-8-14(21-25-13)16(23)20-10-17(24)6-3-7-22(11-17)15-5-4-12(18)9-19-15/h4-5,8-9,24H,2-3,6-7,10-11H2,1H3,(H,20,23)/t17-/m1/s1.

What are the key properties of 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide?

5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-ethyl-N-[[(3R)-1-(5-fluoro-2-pyridinyl)-3-hydroxypiperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 125010520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).