3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one

C20H14FN5O4 — CID 135524943

IUPAC3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C20H14FN5O4/c21-12-5-3-11(4-6-12)10-14-24-25-19(30-14)16-17(27)15-13(2-1-7-22-15)18(23-16)26-8-9-29-20(26)28/h1-7,27H,8-10H2
InChIKeyLPCYUCIPAFTTQY-UHFFFAOYSA-N
MW407.36 g/mol
LogP3.07
Rot. Bonds4

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

3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one (PubChem CID 135524943) has the molecular formula C20H14FN5O4 and a molecular weight of 407.36 g/mol. Its IUPAC name is 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one
PubChem CID135524943
Molecular FormulaC20H14FN5O4
Molecular Weight407.36 g/mol
Exact Mass407.10
IUPAC Name3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12
InChIInChI=1S/C20H14FN5O4/c21-12-5-3-11(4-6-12)10-14-24-25-19(30-14)16-17(27)15-13(2-1-7-22-15)18(23-16)26-8-9-29-20(26)28/h1-7,27H,8-10H2
InChIKeyLPCYUCIPAFTTQY-UHFFFAOYSA-N
XLogP3.07
TPSA114.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one (CID 135524943) is 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one is O=C1OCCN1c1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12.
What is the InChIKey of 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one?
The InChIKey is LPCYUCIPAFTTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FN5O4/c21-12-5-3-11(4-6-12)10-14-24-25-19(30-14)16-17(27)15-13(2-1-7-22-15)18(23-16)26-8-9-29-20(26)28/h1-7,27H,8-10H2.
What are the key properties of 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one?
3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one has a molecular weight of 407.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-8-hydroxy-1,6-naphthyridin-5-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 135524943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).