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

C24H15ClN2O5 — CID 90807371

IUPAC2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)c(OCc2nnc(-c3cccc(Cl)c3)o2)oc2ccccc12
InChIInChI=1S/C24H15ClN2O5/c25-16-5-3-4-15(12-16)23-27-26-20(32-23)13-30-24-21(14-8-10-17(28)11-9-14)22(29)18-6-1-2-7-19(18)31-24/h1-12,28H,13H2
InChIKeyWGTJSAOFOMBDGK-UHFFFAOYSA-N
MW446.85 g/mol
LogP5.45
Rot. Bonds5

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

2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one (PubChem CID 90807371) has the molecular formula C24H15ClN2O5 and a molecular weight of 446.85 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
PubChem CID90807371
Molecular FormulaC24H15ClN2O5
Molecular Weight446.85 g/mol
Exact Mass446.07
IUPAC Name2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one
SMILESO=c1c(-c2ccc(O)cc2)c(OCc2nnc(-c3cccc(Cl)c3)o2)oc2ccccc12
InChIInChI=1S/C24H15ClN2O5/c25-16-5-3-4-15(12-16)23-27-26-20(32-23)13-30-24-21(14-8-10-17(28)11-9-14)22(29)18-6-1-2-7-19(18)31-24/h1-12,28H,13H2
InChIKeyWGTJSAOFOMBDGK-UHFFFAOYSA-N
XLogP5.45
TPSA98.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.85
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The IUPAC name of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one (CID 90807371) is 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one is O=c1c(-c2ccc(O)cc2)c(OCc2nnc(-c3cccc(Cl)c3)o2)oc2ccccc12.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one?
The InChIKey is WGTJSAOFOMBDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15ClN2O5/c25-16-5-3-4-15(12-16)23-27-26-20(32-23)13-30-24-21(14-8-10-17(28)11-9-14)22(29)18-6-1-2-7-19(18)31-24/h1-12,28H,13H2.
What are the key properties of 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one?
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one has a molecular weight of 446.85 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]-3-(4-hydroxyphenyl)chromen-4-one is sourced from PubChem (CID 90807371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).