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

C21H18N2O5 — CID 167786969

IUPAC7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCCc1nc(COc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)no1
InChIInChI=1S/C21H18N2O5/c1-3-20-22-19(23-28-20)12-26-15-8-9-16-18(10-15)27-11-17(21(16)24)13-4-6-14(25-2)7-5-13/h4-11H,3,12H2,1-2H3
InChIKeyUXKUCNAPLIIBOE-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.99
Rot. Bonds6

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

7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one (PubChem CID 167786969) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one
PubChem CID167786969
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one
SMILESCCc1nc(COc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)no1
InChIInChI=1S/C21H18N2O5/c1-3-20-22-19(23-28-20)12-26-15-8-9-16-18(10-15)27-11-17(21(16)24)13-4-6-14(25-2)7-5-13/h4-11H,3,12H2,1-2H3
InChIKeyUXKUCNAPLIIBOE-UHFFFAOYSA-N
XLogP3.99
TPSA87.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one with MolForge

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Related Compounds

7-methoxy-3-(4-methoxyphenyl)chromen-4-one
CID 46702269
3-(4-methylphenyl)-7-[[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]methoxy]chromen-4-one
CID 42607186
3-(4-methoxyphenyl)-7-(oxiran-2-ylmethoxy)chromen-4-one
CID 86618198
3-[3-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]-1,2,4-oxadiazol-5-yl]benzoic acid
CID 24960991
propan-2-yl 3-[3-[[3-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxymethyl]-1,2,4-oxadiazol-5-yl]benzoate
CID 42606964
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
3-(4-chlorophenyl)-7-[2-(4-methoxyphenyl)-2-oxoethoxy]chromen-4-one
CID 2032343
3-(4-bromophenyl)-7-[(4-methylphenyl)methoxy]chromen-4-one
CID 2013461
7-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 40899939
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
CID 71698611
[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-methoxyphenyl]methanol
CID 61496996

Frequently Asked Questions

What is the IUPAC name of 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one (CID 167786969) is 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one is CCc1nc(COc2ccc3c(=O)c(-c4ccc(OC)cc4)coc3c2)no1.
What is the InChIKey of 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one?
The InChIKey is UXKUCNAPLIIBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-3-20-22-19(23-28-20)12-26-15-8-9-16-18(10-15)27-11-17(21(16)24)13-4-6-14(25-2)7-5-13/h4-11H,3,12H2,1-2H3.
What are the key properties of 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one?
7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one has a molecular weight of 378.38 g/mol, XLogP of 3.99, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-3-(4-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 167786969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).