(5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one

C25H28FN5O3 — CID 66953920

About (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one

(5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one (PubChem CID 66953920) has the molecular formula C25H28FN5O3 and a molecular weight of 465.53 g/mol. Its IUPAC name is (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
• PubChem CID: 66953920
• Molecular Formula: C25H28FN5O3
• Molecular Weight: 465.53 g/mol
• Exact Mass: 465.22
• IUPAC Name: (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one
• SMILES: COc1ccc2nccc(N3CC(CNCC[C@H]4CN(c5ccc(C)c(F)c5)C(=O)O4)C3)c2n1
• InChI: InChI=1S/C25H28FN5O3/c1-16-3-4-18(11-20(16)26)31-15-19(34-25(31)32)7-9-27-12-17-13-30(14-17)22-8-10-28-21-5-6-23(33-2)29-24(21)22/h3-6,8,10-11,17,19,27H,7,9,12-15H2,1-2H3/t19-/m0/s1
• InChIKey: BUIYKCIZQJXMCR-IBGZPJMESA-N
• XLogP: 3.53
• TPSA: 79.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.53
LogP ≤ 5	3.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one (CID 66953920) is (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(N3CC(CNCC[C@H]4CN(c5ccc(C)c(F)c5)C(=O)O4)C3)c2n1.

What is the InChIKey of (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one?

The InChIKey is BUIYKCIZQJXMCR-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28FN5O3/c1-16-3-4-18(11-20(16)26)31-15-19(34-25(31)32)7-9-27-12-17-13-30(14-17)22-8-10-28-21-5-6-23(33-2)29-24(21)22/h3-6,8,10-11,17,19,27H,7,9,12-15H2,1-2H3/t19-/m0/s1.

What are the key properties of (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one?

(5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one has a molecular weight of 465.53 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-(3-fluoro-4-methylphenyl)-5-[2-[[1-(6-methoxy-1,5-naphthyridin-4-yl)azetidin-3-yl]methylamino]ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66953920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).