1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one

C30H37FN4O3 — CID 161129727

About 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one

1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one (PubChem CID 161129727) has the molecular formula C30H37FN4O3 and a molecular weight of 520.65 g/mol. Its IUPAC name is 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one.

Molecular Properties

• Compound Name: 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one
• PubChem CID: 161129727
• Molecular Formula: C30H37FN4O3
• Molecular Weight: 520.65 g/mol
• Exact Mass: 520.28
• IUPAC Name: 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one
• SMILES: CCN1C[C@@H](CC(=O)Cc2c(C)c(OCC3CCNCC3)nn2-c2ccccc2)[C@H](c2ccc(F)cc2)O1
• InChI: InChI=1S/C30H37FN4O3/c1-3-34-19-24(29(38-34)23-9-11-25(31)12-10-23)17-27(36)18-28-21(2)30(37-20-22-13-15-32-16-14-22)33-35(28)26-7-5-4-6-8-26/h4-12,22,24,29,32H,3,13-20H2,1-2H3/t24-,29+/m1/s1
• InChIKey: UMAIUUGMYFHXFB-GIGWZHCTSA-N
• XLogP: 4.82
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	520.65
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one?

The IUPAC name of 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one (CID 161129727) is 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one.

What is the SMILES notation for 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one?

The canonical SMILES for 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one is CCN1C[C@@H](CC(=O)Cc2c(C)c(OCC3CCNCC3)nn2-c2ccccc2)[C@H](c2ccc(F)cc2)O1.

What is the InChIKey of 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one?

The InChIKey is UMAIUUGMYFHXFB-GIGWZHCTSA-N. The full InChI is InChI=1S/C30H37FN4O3/c1-3-34-19-24(29(38-34)23-9-11-25(31)12-10-23)17-27(36)18-28-21(2)30(37-20-22-13-15-32-16-14-22)33-35(28)26-7-5-4-6-8-26/h4-12,22,24,29,32H,3,13-20H2,1-2H3/t24-,29+/m1/s1.

What are the key properties of 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one?

1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one has a molecular weight of 520.65 g/mol, XLogP of 4.82, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4R,5R)-2-ethyl-5-(4-fluorophenyl)-1,2-oxazolidin-4-yl]-3-[4-methyl-1-phenyl-3-(piperidin-4-ylmethoxy)pyrazol-5-yl]propan-2-one is sourced from PubChem (CID 161129727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).