6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

C27H31N5O7 — CID 25115097

About 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 25115097) has the molecular formula C27H31N5O7 and a molecular weight of 537.57 g/mol. Its IUPAC name is 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

• Compound Name: 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• PubChem CID: 25115097
• Molecular Formula: C27H31N5O7
• Molecular Weight: 537.57 g/mol
• Exact Mass: 537.22
• IUPAC Name: 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• SMILES: COc1ccc2nccc(CCCN(C[C@@H](O)CO)C[C@@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2n1
• InChI: InChI=1S/C27H31N5O7/c1-37-25-7-5-21-26(30-25)17(8-9-28-21)3-2-10-31(12-19(34)15-33)13-20-14-32(27(36)39-20)18-4-6-23-22(11-18)29-24(35)16-38-23/h4-9,11,19-20,33-34H,2-3,10,12-16H2,1H3,(H,29,35)/t19-,20-/m1/s1
• InChIKey: PBGLLILIVPGVKN-WOJBJXKFSA-N
• XLogP: 1.58
• TPSA: 146.58 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	537.57
LogP ≤ 5	1.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The IUPAC name of 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 25115097) is 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

What is the SMILES notation for 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The canonical SMILES for 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is COc1ccc2nccc(CCCN(C[C@@H](O)CO)C[C@@H]3CN(c4ccc5c(c4)NC(=O)CO5)C(=O)O3)c2n1.

What is the InChIKey of 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The InChIKey is PBGLLILIVPGVKN-WOJBJXKFSA-N. The full InChI is InChI=1S/C27H31N5O7/c1-37-25-7-5-21-26(30-25)17(8-9-28-21)3-2-10-31(12-19(34)15-33)13-20-14-32(27(36)39-20)18-4-6-23-22(11-18)29-24(35)16-38-23/h4-9,11,19-20,33-34H,2-3,10,12-16H2,1H3,(H,29,35)/t19-,20-/m1/s1.

What are the key properties of 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 537.57 g/mol, XLogP of 1.58, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5R)-5-[[[(2R)-2,3-dihydroxypropyl]-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 25115097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).