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

C21H13FN4O3 — CID 135502703

IUPAC7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccoc2)c2cccnc12
InChIInChI=1S/C21H13FN4O3/c22-14-5-3-12(4-6-14)10-16-25-26-21(29-16)19-20(27)18-15(2-1-8-23-18)17(24-19)13-7-9-28-11-13/h1-9,11,27H,10H2
InChIKeyLNFQSWPCVAVJTI-UHFFFAOYSA-N
MW388.36 g/mol
LogP4.38
Rot. Bonds4

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

7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol (PubChem CID 135502703) has the molecular formula C21H13FN4O3 and a molecular weight of 388.36 g/mol. Its IUPAC name is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol.

Molecular Properties

Compound Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol
PubChem CID135502703
Molecular FormulaC21H13FN4O3
Molecular Weight388.36 g/mol
Exact Mass388.10
IUPAC Name7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol
SMILESOc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccoc2)c2cccnc12
InChIInChI=1S/C21H13FN4O3/c22-14-5-3-12(4-6-14)10-16-25-26-21(29-16)19-20(27)18-15(2-1-8-23-18)17(24-19)13-7-9-28-11-13/h1-9,11,27H,10H2
InChIKeyLNFQSWPCVAVJTI-UHFFFAOYSA-N
XLogP4.38
TPSA98.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol?
The IUPAC name of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol (CID 135502703) is 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol.
What is the SMILES notation for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol?
The canonical SMILES for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol is Oc1c(-c2nnc(Cc3ccc(F)cc3)o2)nc(-c2ccoc2)c2cccnc12.
What is the InChIKey of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol?
The InChIKey is LNFQSWPCVAVJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FN4O3/c22-14-5-3-12(4-6-14)10-16-25-26-21(29-16)19-20(27)18-15(2-1-8-23-18)17(24-19)13-7-9-28-11-13/h1-9,11,27H,10H2.
What are the key properties of 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol?
7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol has a molecular weight of 388.36 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-[(4-fluorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-5-(furan-3-yl)-1,6-naphthyridin-8-ol is sourced from PubChem (CID 135502703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).