7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one

C19H14N2O5 — CID 7908166

IUPAC7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one
SMILESCOc1ccc2c(COc3ccc(-c4nnco4)cc3)cc(=O)oc2c1
InChIInChI=1S/C19H14N2O5/c1-23-15-6-7-16-13(8-18(22)26-17(16)9-15)10-24-14-4-2-12(3-5-14)19-21-20-11-25-19/h2-9,11H,10H2,1H3
InChIKeyJXGVGVHADXSVAG-UHFFFAOYSA-N
MW350.33 g/mol
LogP3.43
Rot. Bonds5

About 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one

7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one (PubChem CID 7908166) has the molecular formula C19H14N2O5 and a molecular weight of 350.33 g/mol. Its IUPAC name is 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one
PubChem CID7908166
Molecular FormulaC19H14N2O5
Molecular Weight350.33 g/mol
Exact Mass350.09
IUPAC Name7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one
SMILESCOc1ccc2c(COc3ccc(-c4nnco4)cc3)cc(=O)oc2c1
InChIInChI=1S/C19H14N2O5/c1-23-15-6-7-16-13(8-18(22)26-17(16)9-15)10-24-14-4-2-12(3-5-14)19-21-20-11-25-19/h2-9,11H,10H2,1H3
InChIKeyJXGVGVHADXSVAG-UHFFFAOYSA-N
XLogP3.43
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.33
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925425
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
7-methoxy-4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]chromen-2-one
CID 7816378
4-ethyl-7-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methoxy]chromen-2-one
CID 38829443
(7-methoxy-2-oxochromen-4-yl)methyl 2-methylpropanoate
CID 7782409
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
(7-methoxy-2-oxochromen-4-yl)methyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 5210794
(7-methoxy-2-oxochromen-4-yl)methyl 3,4,5-trimethoxybenzoate
CID 3971708
(7-methoxy-2-oxochromen-4-yl)methyl 3-aminopyrazine-2-carboxylate
CID 7469232

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one?
The IUPAC name of 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one (CID 7908166) is 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one.
What is the SMILES notation for 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one?
The canonical SMILES for 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one is COc1ccc2c(COc3ccc(-c4nnco4)cc3)cc(=O)oc2c1.
What is the InChIKey of 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one?
The InChIKey is JXGVGVHADXSVAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5/c1-23-15-6-7-16-13(8-18(22)26-17(16)9-15)10-24-14-4-2-12(3-5-14)19-21-20-11-25-19/h2-9,11H,10H2,1H3.
What are the key properties of 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one?
7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one has a molecular weight of 350.33 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[[4-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]chromen-2-one is sourced from PubChem (CID 7908166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).