5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol

C21H18FN5O4S — CID 135869507

IUPAC5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol
SMILESO=S1(=O)CCCCN1c1nc(-c2noc(Cc3ccc(F)cc3)n2)c(O)c2ncccc12
InChIInChI=1S/C21H18FN5O4S/c22-14-7-5-13(6-8-14)12-16-24-20(26-31-16)18-19(28)17-15(4-3-9-23-17)21(25-18)27-10-1-2-11-32(27,29)30/h3-9,28H,1-2,10-12H2
InChIKeyGHCVXZBYNANXFA-UHFFFAOYSA-N
MW455.47 g/mol
LogP3.05
Rot. Bonds4

About 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol

5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol (PubChem CID 135869507) has the molecular formula C21H18FN5O4S and a molecular weight of 455.47 g/mol. Its IUPAC name is 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol
PubChem CID135869507
Molecular FormulaC21H18FN5O4S
Molecular Weight455.47 g/mol
Exact Mass455.11
IUPAC Name5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol
SMILESO=S1(=O)CCCCN1c1nc(-c2noc(Cc3ccc(F)cc3)n2)c(O)c2ncccc12
InChIInChI=1S/C21H18FN5O4S/c22-14-7-5-13(6-8-14)12-16-24-20(26-31-16)18-19(28)17-15(4-3-9-23-17)21(25-18)27-10-1-2-11-32(27,29)30/h3-9,28H,1-2,10-12H2
InChIKeyGHCVXZBYNANXFA-UHFFFAOYSA-N
XLogP3.05
TPSA122.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.47
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol?
The IUPAC name of 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol (CID 135869507) is 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol.
What is the SMILES notation for 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol?
The canonical SMILES for 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol is O=S1(=O)CCCCN1c1nc(-c2noc(Cc3ccc(F)cc3)n2)c(O)c2ncccc12.
What is the InChIKey of 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol?
The InChIKey is GHCVXZBYNANXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O4S/c22-14-7-5-13(6-8-14)12-16-24-20(26-31-16)18-19(28)17-15(4-3-9-23-17)21(25-18)27-10-1-2-11-32(27,29)30/h3-9,28H,1-2,10-12H2.
What are the key properties of 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol?
5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol has a molecular weight of 455.47 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-dioxothiazinan-2-yl)-7-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135869507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).