(5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

C25H28F2N4O7 — CID 142648242

About (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 142648242) has the molecular formula C25H28F2N4O7 and a molecular weight of 534.52 g/mol. Its IUPAC name is (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 142648242
• Molecular Formula: C25H28F2N4O7
• Molecular Weight: 534.52 g/mol
• Exact Mass: 534.19
• IUPAC Name: (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
• SMILES: O=C(C(O)CN1CCCC1O)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1
• InChI: InChI=1S/C25H28F2N4O7/c26-18-10-16(31-12-17(38-25(31)35)14-36-21-5-9-37-28-21)11-19(27)23(18)15-3-7-29(8-4-15)24(34)20(32)13-30-6-1-2-22(30)33/h3,5,9-11,17,20,22,32-33H,1-2,4,6-8,12-14H2/t17-,20?,22?/m1/s1
• InChIKey: FAWWQRZBJUAWNF-FEPNQTLGSA-N
• XLogP: 1.75
• TPSA: 128.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.52
LogP ≤ 5	1.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one (CID 142648242) is (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is O=C(C(O)CN1CCCC1O)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1.

What is the InChIKey of (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is FAWWQRZBJUAWNF-FEPNQTLGSA-N. The full InChI is InChI=1S/C25H28F2N4O7/c26-18-10-16(31-12-17(38-25(31)35)14-36-21-5-9-37-28-21)11-19(27)23(18)15-3-7-29(8-4-15)24(34)20(32)13-30-6-1-2-22(30)33/h3,5,9-11,17,20,22,32-33H,1-2,4,6-8,12-14H2/t17-,20?,22?/m1/s1.

What are the key properties of (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one?

(5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 534.52 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3,5-difluoro-4-[1-[2-hydroxy-3-(2-hydroxypyrrolidin-1-yl)propanoyl]-3,6-dihydro-2H-pyridin-4-yl]phenyl]-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142648242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).