1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

C17H12N2O5 — CID 8528159

IUPAC1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nnco2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H12N2O5/c20-14(12-3-6-15-16(7-12)24-10-23-15)8-21-13-4-1-11(2-5-13)17-19-18-9-22-17/h1-7,9H,8,10H2
InChIKeyNKYSOYIVPRXVAH-UHFFFAOYSA-N
MW324.29 g/mol
LogP2.73
Rot. Bonds5

About 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone

1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (PubChem CID 8528159) has the molecular formula C17H12N2O5 and a molecular weight of 324.29 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
PubChem CID8528159
Molecular FormulaC17H12N2O5
Molecular Weight324.29 g/mol
Exact Mass324.07
IUPAC Name1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
SMILESO=C(COc1ccc(-c2nnco2)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C17H12N2O5/c20-14(12-3-6-15-16(7-12)24-10-23-15)8-21-13-4-1-11(2-5-13)17-19-18-9-22-17/h1-7,9H,8,10H2
InChIKeyNKYSOYIVPRXVAH-UHFFFAOYSA-N
XLogP2.73
TPSA83.68 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.29
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8569592
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 18082174
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
CID 4826899
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
4-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethoxy]phenyl]benzonitrile
CID 7670398
2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
CID 38114433
2-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazole
CID 2372912
1-(1,3-benzodioxol-5-yl)-2-(6-bromonaphthalen-2-yl)oxyethanone
CID 8022199
[2-(1,3-benzodioxol-5-yl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate
CID 9140974
1-(1,3-benzodioxol-5-yl)-2-[(5-chloro-3-pyridinyl)oxy]ethanone
CID 64601657
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The IUPAC name of 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone (CID 8528159) is 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone.
What is the SMILES notation for 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The canonical SMILES for 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is O=C(COc1ccc(-c2nnco2)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
The InChIKey is NKYSOYIVPRXVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O5/c20-14(12-3-6-15-16(7-12)24-10-23-15)8-21-13-4-1-11(2-5-13)17-19-18-9-22-17/h1-7,9H,8,10H2.
What are the key properties of 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone?
1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone has a molecular weight of 324.29 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone is sourced from PubChem (CID 8528159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).