7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one

C24H15FN2O5 — CID 24960630

IUPAC7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OCc3nnc(-c4cccc(F)c4)o3)ccc12
InChIInChI=1S/C24H15FN2O5/c25-16-3-1-2-15(10-16)24-27-26-22(32-24)13-30-18-8-9-19-21(11-18)31-12-20(23(19)29)14-4-6-17(28)7-5-14/h1-12,28H,13H2
InChIKeyBPVYYYUTPWPBES-UHFFFAOYSA-N
MW430.39 g/mol
LogP4.93
Rot. Bonds5

About 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one

7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 24960630) has the molecular formula C24H15FN2O5 and a molecular weight of 430.39 g/mol. Its IUPAC name is 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID24960630
Molecular FormulaC24H15FN2O5
Molecular Weight430.39 g/mol
Exact Mass430.10
IUPAC Name7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)coc2cc(OCc3nnc(-c4cccc(F)c4)o3)ccc12
InChIInChI=1S/C24H15FN2O5/c25-16-3-1-2-15(10-16)24-27-26-22(32-24)13-30-18-8-9-19-21(11-18)31-12-20(23(19)29)14-4-6-17(28)7-5-14/h1-12,28H,13H2
InChIKeyBPVYYYUTPWPBES-UHFFFAOYSA-N
XLogP4.93
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.39
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one (CID 24960630) is 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one is O=c1c(-c2ccc(O)cc2)coc2cc(OCc3nnc(-c4cccc(F)c4)o3)ccc12.
What is the InChIKey of 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is BPVYYYUTPWPBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15FN2O5/c25-16-3-1-2-15(10-16)24-27-26-22(32-24)13-30-18-8-9-19-21(11-18)31-12-20(23(19)29)14-4-6-17(28)7-5-14/h1-12,28H,13H2.
What are the key properties of 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one?
7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 430.39 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 24960630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).