5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

C24H26FN5O5 — CID 66736522

IUPAC5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2ncc(F)c(CNCC[C@H](N)C3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C24H26FN5O5/c1-32-22-5-3-18-23(29-22)15(16(25)12-28-18)11-27-7-6-17(26)21-13-30(24(31)35-21)14-2-4-19-20(10-14)34-9-8-33-19/h2-5,10,12,17,21,27H,6-9,11,13,26H2,1H3/t17-,21?/m0/s1
InChIKeySUYWZQNOKBBBON-PBVYKCSPSA-N
MW483.50 g/mol
LogP2.38
Rot. Bonds8

About 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 66736522) has the molecular formula C24H26FN5O5 and a molecular weight of 483.50 g/mol. Its IUPAC name is 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
PubChem CID66736522
Molecular FormulaC24H26FN5O5
Molecular Weight483.50 g/mol
Exact Mass483.19
IUPAC Name5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2ncc(F)c(CNCC[C@H](N)C3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C24H26FN5O5/c1-32-22-5-3-18-23(29-22)15(16(25)12-28-18)11-27-7-6-17(26)21-13-30(24(31)35-21)14-2-4-19-20(10-14)34-9-8-33-19/h2-5,10,12,17,21,27H,6-9,11,13,26H2,1H3/t17-,21?/m0/s1
InChIKeySUYWZQNOKBBBON-PBVYKCSPSA-N
XLogP2.38
TPSA121.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.50
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (CID 66736522) is 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2ncc(F)c(CNCC[C@H](N)C3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.
What is the InChIKey of 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is SUYWZQNOKBBBON-PBVYKCSPSA-N. The full InChI is InChI=1S/C24H26FN5O5/c1-32-22-5-3-18-23(29-22)15(16(25)12-28-18)11-27-7-6-17(26)21-13-30(24(31)35-21)14-2-4-19-20(10-14)34-9-8-33-19/h2-5,10,12,17,21,27H,6-9,11,13,26H2,1H3/t17-,21?/m0/s1.
What are the key properties of 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 483.50 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-3-[(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)methylamino]propyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).