[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate

C28H32FN7O5 — CID 91037527

About [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate (PubChem CID 91037527) has the molecular formula C28H32FN7O5 and a molecular weight of 565.61 g/mol. Its IUPAC name is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate.

Molecular Properties

• Compound Name: [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate
• PubChem CID: 91037527
• Molecular Formula: C28H32FN7O5
• Molecular Weight: 565.61 g/mol
• Exact Mass: 565.24
• IUPAC Name: [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate
• SMILES: CC(CCC(=O)OC[C@@H]1C=C(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)NO1)N(C)C
• InChI: InChI=1S/C28H32FN7O5/c1-18(34(2)3)4-9-27(37)39-17-21-13-26(32-41-21)25-8-5-19(14-30-25)23-7-6-20(12-24(23)29)36-16-22(40-28(36)38)15-35-11-10-31-33-35/h5-8,10-14,18,21-22,32H,4,9,15-17H2,1-3H3/t18?,21-,22-/m0/s1
• InChIKey: MTIKNZNQZUBKFF-VRJTXETASA-N
• XLogP: 3.02
• TPSA: 123.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 11
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.61
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate?

The IUPAC name of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate (CID 91037527) is [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate.

What is the SMILES notation for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate?

The canonical SMILES for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate is CC(CCC(=O)OC[C@@H]1C=C(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)NO1)N(C)C.

What is the InChIKey of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate?

The InChIKey is MTIKNZNQZUBKFF-VRJTXETASA-N. The full InChI is InChI=1S/C28H32FN7O5/c1-18(34(2)3)4-9-27(37)39-17-21-13-26(32-41-21)25-8-5-19(14-30-25)23-7-6-20(12-24(23)29)36-16-22(40-28(36)38)15-35-11-10-31-33-35/h5-8,10-14,18,21-22,32H,4,9,15-17H2,1-3H3/t18?,21-,22-/m0/s1.

What are the key properties of [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate?

[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate has a molecular weight of 565.61 g/mol, XLogP of 3.02, 11 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl 4-(dimethylamino)pentanoate is sourced from PubChem (CID 91037527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).