(5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C27H30FN7O5 — CID 11570290

About (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11570290) has the molecular formula C27H30FN7O5 and a molecular weight of 551.58 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 11570290
• Molecular Formula: C27H30FN7O5
• Molecular Weight: 551.58 g/mol
• Exact Mass: 551.23
• IUPAC Name: (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](COCCN4CCOCC4)C3)nc2)c(F)c1
• InChI: InChI=1S/C27H30FN7O5/c28-24-13-20(35-17-22(39-27(35)36)16-34-6-5-30-32-34)2-3-23(24)19-1-4-25(29-15-19)26-14-21(40-31-26)18-38-12-9-33-7-10-37-11-8-33/h1-6,13,15,21-22H,7-12,14,16-18H2/t21-,22-/m0/s1
• InChIKey: QSMYNBIVDIMVEZ-VXKWHMMOSA-N
• XLogP: 2.35
• TPSA: 116.43 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.58
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11570290) is (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3=NO[C@H](COCCN4CCOCC4)C3)nc2)c(F)c1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is QSMYNBIVDIMVEZ-VXKWHMMOSA-N. The full InChI is InChI=1S/C27H30FN7O5/c28-24-13-20(35-17-22(39-27(35)36)16-34-6-5-30-32-34)2-3-23(24)19-1-4-25(29-15-19)26-14-21(40-31-26)18-38-12-9-33-7-10-37-11-8-33/h1-6,13,15,21-22H,7-12,14,16-18H2/t21-,22-/m0/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 551.58 g/mol, XLogP of 2.35, 10 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3-fluoro-4-[6-[(5S)-5-(2-morpholin-4-ylethoxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11570290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).