(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

C20H19N3O5 — CID 58072003

IUPAC(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)O3)n2)cc1OC
InChIInChI=1S/C20H19N3O5/c1-25-17-6-5-12(8-18(17)26-2)15-9-16-14(4-3-7-21-16)19(23-15)27-11-13-10-22-20(24)28-13/h3-9,13H,10-11H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyIFJAICSSSBETIV-CYBMUJFWSA-N
MW381.39 g/mol
LogP2.80
Rot. Bonds6

About (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one

(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (PubChem CID 58072003) has the molecular formula C20H19N3O5 and a molecular weight of 381.39 g/mol. Its IUPAC name is (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
PubChem CID58072003
Molecular FormulaC20H19N3O5
Molecular Weight381.39 g/mol
Exact Mass381.13
IUPAC Name(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one
SMILESCOc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)O3)n2)cc1OC
InChIInChI=1S/C20H19N3O5/c1-25-17-6-5-12(8-18(17)26-2)15-9-16-14(4-3-7-21-16)19(23-15)27-11-13-10-22-20(24)28-13/h3-9,13H,10-11H2,1-2H3,(H,22,24)/t13-/m1/s1
InChIKeyIFJAICSSSBETIV-CYBMUJFWSA-N
XLogP2.80
TPSA91.80 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one (CID 58072003) is (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is COc1ccc(-c2cc3ncccc3c(OC[C@H]3CNC(=O)O3)n2)cc1OC.
What is the InChIKey of (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
The InChIKey is IFJAICSSSBETIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N3O5/c1-25-17-6-5-12(8-18(17)26-2)15-9-16-14(4-3-7-21-16)19(23-15)27-11-13-10-22-20(24)28-13/h3-9,13H,10-11H2,1-2H3,(H,22,24)/t13-/m1/s1.
What are the key properties of (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one?
(5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one has a molecular weight of 381.39 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[7-(3,4-dimethoxyphenyl)-1,6-naphthyridin-5-yl]oxymethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58072003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).