(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one

C27H27N3O6 — CID 66736819

IUPAC(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(CCC(=O)CC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
InChIInChI=1S/C27H27N3O6/c1-33-24-12-11-22-26(29-24)19(13-14-28-22)7-8-20(31)9-10-21-15-30(27(32)35-21)25-17-34-16-23(36-25)18-5-3-2-4-6-18/h2-3,5,11-14,16-17,21H,4,6-10,15H2,1H3/t21-/m1/s1
InChIKeyFKWVPPSIGCEOQR-OAQYLSRUSA-N
MW489.53 g/mol
LogP4.70
Rot. Bonds9

About (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one

(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one (PubChem CID 66736819) has the molecular formula C27H27N3O6 and a molecular weight of 489.53 g/mol. Its IUPAC name is (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one
PubChem CID66736819
Molecular FormulaC27H27N3O6
Molecular Weight489.53 g/mol
Exact Mass489.19
IUPAC Name(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2nccc(CCC(=O)CC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
InChIInChI=1S/C27H27N3O6/c1-33-24-12-11-22-26(29-24)19(13-14-28-22)7-8-20(31)9-10-21-15-30(27(32)35-21)25-17-34-16-23(36-25)18-5-3-2-4-6-18/h2-3,5,11-14,16-17,21H,4,6-10,15H2,1H3/t21-/m1/s1
InChIKeyFKWVPPSIGCEOQR-OAQYLSRUSA-N
XLogP4.70
TPSA100.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[3-hydroxy-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-1,3-oxazolidin-2-one
CID 66736208
(5R)-5-[[[(2S)-2-amino-3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one
CID 66736945
5-[[benzyl-[3-(6-methoxy-1,5-naphthyridin-4-yl)propyl]amino]methyl]-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-1,3-oxazolidin-2-one
CID 66737443
(3S)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-hydroxy-3-(6-methoxy-1,5-naphthyridin-4-yl)propanamide
CID 66736118
(5S)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
CID 67222403
(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[[2-[(9R)-2-methoxy-8,9-dihydrofuro[2,3-c][1,5]naphthyridin-9-yl]ethylamino]methyl]-1,3-oxazolidin-2-one
CID 67223120
(E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide
CID 66737499
(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-(2-hydroxyethyl)-1,3-oxazolidin-2-one
CID 67352625
(E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(2-methoxyquinolin-6-yl)prop-2-enamide
CID 118536278
5-[5-azido-5-(6-methoxy-1,5-naphthyridin-4-yl)pentyl]-3-[6-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-dioxin-2-yl]-1,3-oxazolidin-2-one
CID 91216890
(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
ethyl 4-[2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]ethyl-[2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]amino]butanoate
CID 25115095

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one (CID 66736819) is (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one is COc1ccc2nccc(CCC(=O)CC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1.
What is the InChIKey of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one?
The InChIKey is FKWVPPSIGCEOQR-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H27N3O6/c1-33-24-12-11-22-26(29-24)19(13-14-28-22)7-8-20(31)9-10-21-15-30(27(32)35-21)25-17-34-16-23(36-25)18-5-3-2-4-6-18/h2-3,5,11-14,16-17,21H,4,6-10,15H2,1H3/t21-/m1/s1.
What are the key properties of (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one?
(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one has a molecular weight of 489.53 g/mol, XLogP of 4.70, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-5-[5-(6-methoxy-1,5-naphthyridin-4-yl)-3-oxopentyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66736819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).