5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

C26H29N5O5 — CID 66954480

IUPAC5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C(C3CNC3)N(C)CC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C26H29N5O5/c1-30(14-18-15-31(26(32)36-18)17-3-5-21-22(11-17)35-10-9-34-21)25(16-12-27-13-16)19-7-8-28-20-4-6-23(33-2)29-24(19)20/h3-8,11,16,18,25,27H,9-10,12-15H2,1-2H3
InChIKeyHTKSELYNDSUEEF-UHFFFAOYSA-N
MW491.55 g/mol
LogP2.63
Rot. Bonds7

About 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one

5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (PubChem CID 66954480) has the molecular formula C26H29N5O5 and a molecular weight of 491.55 g/mol. Its IUPAC name is 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
PubChem CID66954480
Molecular FormulaC26H29N5O5
Molecular Weight491.55 g/mol
Exact Mass491.22
IUPAC Name5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(C(C3CNC3)N(C)CC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1
InChIInChI=1S/C26H29N5O5/c1-30(14-18-15-31(26(32)36-18)17-3-5-21-22(11-17)35-10-9-34-21)25(16-12-27-13-16)19-7-8-28-20-4-6-23(33-2)29-24(19)20/h3-8,11,16,18,25,27H,9-10,12-15H2,1-2H3
InChIKeyHTKSELYNDSUEEF-UHFFFAOYSA-N
XLogP2.63
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one with MolForge

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Related Compounds

5-[[[(R)-(6-methoxy-1,5-naphthyridin-4-yl)-pyrrolidin-3-ylmethyl]-methylamino]methyl]-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-2-one
CID 66954792
(5S)-5-[(5R)-5-amino-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one
CID 66736309
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[(5R)-5-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
CID 66737018
(3S)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66736308
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(3S)-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-1,3-oxazolidin-2-one
CID 66736510
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[2-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethylamino]ethyl]-1,3-oxazolidin-2-one
CID 25117388
(2R)-2-amino-N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66737929
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one
CID 66736965
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enoxymethyl]-1,3-oxazolidin-2-one
CID 66737488
N-[[(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enamide
CID 91422533
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-[[[(E)-3-(6-methoxy-1,5-naphthyridin-4-yl)prop-2-enyl]amino]methyl]-1,3-oxazolidin-2-one
CID 25116714
N-[(3R)-1-[(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]-5-(6-methoxy-1,5-naphthyridin-4-yl)pentan-3-yl]methanesulfonamide
CID 66736876

Frequently Asked Questions

What is the IUPAC name of 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one (CID 66954480) is 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is COc1ccc2nccc(C(C3CNC3)N(C)CC3CN(c4ccc5c(c4)OCCO5)C(=O)O3)c2n1.
What is the InChIKey of 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
The InChIKey is HTKSELYNDSUEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O5/c1-30(14-18-15-31(26(32)36-18)17-3-5-21-22(11-17)35-10-9-34-21)25(16-12-27-13-16)19-7-8-28-20-4-6-23(33-2)29-24(19)20/h3-8,11,16,18,25,27H,9-10,12-15H2,1-2H3.
What are the key properties of 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one?
5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one has a molecular weight of 491.55 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[azetidin-3-yl-(6-methoxy-1,5-naphthyridin-4-yl)methyl]-methylamino]methyl]-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66954480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).