1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone

C18H16N2O4 — CID 112787991

IUPAC1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
SMILESCOc1cccc(-c2noc(COc3cccc(C(C)=O)c3)n2)c1
InChIInChI=1S/C18H16N2O4/c1-12(21)13-5-3-8-16(9-13)23-11-17-19-18(20-24-17)14-6-4-7-15(10-14)22-2/h3-10H,11H2,1-2H3
InChIKeyFJGNYMHSOUBAJI-UHFFFAOYSA-N
MW324.34 g/mol
LogP3.53
Rot. Bonds6

About 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone

1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone (PubChem CID 112787991) has the molecular formula C18H16N2O4 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
PubChem CID112787991
Molecular FormulaC18H16N2O4
Molecular Weight324.34 g/mol
Exact Mass324.11
IUPAC Name1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
SMILESCOc1cccc(-c2noc(COc3cccc(C(C)=O)c3)n2)c1
InChIInChI=1S/C18H16N2O4/c1-12(21)13-5-3-8-16(9-13)23-11-17-19-18(20-24-17)14-6-4-7-15(10-14)22-2/h3-10H,11H2,1-2H3
InChIKeyFJGNYMHSOUBAJI-UHFFFAOYSA-N
XLogP3.53
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
CID 17427274
3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzaldehyde
CID 30029174
5-[(3-methoxyphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 3159105
3-(3-methoxyphenyl)-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-oxadiazole
CID 6461904
methyl 3-chloro-4-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]benzoate
CID 55376476
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 4-cyanobenzoate
CID 8018261
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-chloropyridine-3-carboxylate
CID 8017406
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(4-methoxyphenyl)sulfanylacetate
CID 8550796
3-(3-methoxyphenyl)-5-propyl-1,2,4-oxadiazole
CID 143434606
[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2,5-dimethylfuran-3-carboxylate
CID 8860099
2-[3-[5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazol-3-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 45032538
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetic acid
CID 112682859

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone (CID 112787991) is 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone is COc1cccc(-c2noc(COc3cccc(C(C)=O)c3)n2)c1.
What is the InChIKey of 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
The InChIKey is FJGNYMHSOUBAJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O4/c1-12(21)13-5-3-8-16(9-13)23-11-17-19-18(20-24-17)14-6-4-7-15(10-14)22-2/h3-10H,11H2,1-2H3.
What are the key properties of 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone?
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone has a molecular weight of 324.34 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 112787991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).