7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one

C20H16N2O5 — CID 9137818

IUPAC7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCOc1ccccc1-c1noc(COc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C20H16N2O5/c1-12-9-19(23)26-17-10-13(7-8-14(12)17)25-11-18-21-20(22-27-18)15-5-3-4-6-16(15)24-2/h3-10H,11H2,1-2H3
InChIKeyMURIGRPJYFSSRA-UHFFFAOYSA-N
MW364.36 g/mol
LogP3.74
Rot. Bonds5

About 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one

7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one (PubChem CID 9137818) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one.

Molecular Properties

Compound Name7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
PubChem CID9137818
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
SMILESCOc1ccccc1-c1noc(COc2ccc3c(C)cc(=O)oc3c2)n1
InChIInChI=1S/C20H16N2O5/c1-12-9-19(23)26-17-10-13(7-8-14(12)17)25-11-18-21-20(22-27-18)15-5-3-4-6-16(15)24-2/h3-10H,11H2,1-2H3
InChIKeyMURIGRPJYFSSRA-UHFFFAOYSA-N
XLogP3.74
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 53.74
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

7-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 9137817
5-(9H-carbazol-2-yloxymethyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355907
7-[[3-[2-fluoro-4-[3-(hydroxymethyl)phenyl]phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one
CID 166375581
4-methyl-7-[[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy]chromen-2-one
CID 46685912
5-[(3,5-dimethoxyphenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9355953
5-[(3-iodophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9353996
7-[[(5S)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methoxy]-4-methylchromen-2-one
CID 7685139
7-[(7-methoxy-1-benzofuran-2-yl)methoxy]-4-methylchromen-2-one
CID 59603185
7-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]-4-(trifluoromethyl)chromen-2-one
CID 18083177
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
5-[(4-methoxyphenoxy)methyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 926660
5-[(4-methoxy-2-nitrophenoxy)methyl]-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 9354278

Frequently Asked Questions

What is the IUPAC name of 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
The IUPAC name of 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one (CID 9137818) is 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one.
What is the SMILES notation for 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
The canonical SMILES for 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one is COc1ccccc1-c1noc(COc2ccc3c(C)cc(=O)oc3c2)n1.
What is the InChIKey of 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
The InChIKey is MURIGRPJYFSSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c1-12-9-19(23)26-17-10-13(7-8-14(12)17)25-11-18-21-20(22-27-18)15-5-3-4-6-16(15)24-2/h3-10H,11H2,1-2H3.
What are the key properties of 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one?
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one has a molecular weight of 364.36 g/mol, XLogP of 3.74, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]-4-methylchromen-2-one is sourced from PubChem (CID 9137818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).