(5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one

C21H22N4O5 — CID 58072043

IUPAC(5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(NC[C@H]3CNC(=O)O3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O5/c1-27-17-7-12(8-18(28-2)19(17)29-3)15-9-16-14(5-4-6-22-16)20(25-15)23-10-13-11-24-21(26)30-13/h4-9,13H,10-11H2,1-3H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyKSODRXGOIPVAPA-ZDUSSCGKSA-N
MW410.43 g/mol
LogP2.84
Rot. Bonds7

About (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one

(5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 58072043) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one
PubChem CID58072043
Molecular FormulaC21H22N4O5
Molecular Weight410.43 g/mol
Exact Mass410.16
IUPAC Name(5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one
SMILESCOc1cc(-c2cc3ncccc3c(NC[C@H]3CNC(=O)O3)n2)cc(OC)c1OC
InChIInChI=1S/C21H22N4O5/c1-27-17-7-12(8-18(28-2)19(17)29-3)15-9-16-14(5-4-6-22-16)20(25-15)23-10-13-11-24-21(26)30-13/h4-9,13H,10-11H2,1-3H3,(H,23,25)(H,24,26)/t13-/m0/s1
InChIKeyKSODRXGOIPVAPA-ZDUSSCGKSA-N
XLogP2.84
TPSA103.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one (CID 58072043) is (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one is COc1cc(-c2cc3ncccc3c(NC[C@H]3CNC(=O)O3)n2)cc(OC)c1OC.
What is the InChIKey of (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is KSODRXGOIPVAPA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-27-17-7-12(8-18(28-2)19(17)29-3)15-9-16-14(5-4-6-22-16)20(25-15)23-10-13-11-24-21(26)30-13/h4-9,13H,10-11H2,1-3H3,(H,23,25)(H,24,26)/t13-/m0/s1.
What are the key properties of (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one?
(5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 410.43 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[7-(3,4,5-trimethoxyphenyl)-1,6-naphthyridin-5-yl]amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58072043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).