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

C12H12N2O3 — CID 28782376

IUPAC1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2nnc(C)o2)c1
InChIInChI=1S/C12H12N2O3/c1-8(15)10-4-3-5-11(6-10)16-7-12-14-13-9(2)17-12/h3-6H,7H2,1-2H3
InChIKeyJSQYKMDFMZRZLY-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.16
Rot. Bonds4

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

1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone (PubChem CID 28782376) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
PubChem CID28782376
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCc2nnc(C)o2)c1
InChIInChI=1S/C12H12N2O3/c1-8(15)10-4-3-5-11(6-10)16-7-12-14-13-9(2)17-12/h3-6H,7H2,1-2H3
InChIKeyJSQYKMDFMZRZLY-UHFFFAOYSA-N
XLogP2.16
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-2-yl]ethanone
CID 71978689
1-[3-[(2-methylphenyl)methoxy]phenyl]ethanone
CID 765227
1-[3-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methylamino]phenyl]ethanone
CID 110653580
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 55451437
1-[3-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]ethanone
CID 28782365
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495260
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782324
(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
CID 9109074
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
1-[3-(pyridin-3-ylmethoxy)phenyl]ethanone
CID 24704115
1-[3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy]phenyl]ethanone
CID 112787991
1-(3-hydroperoxyphenyl)ethanone
CID 21289599

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone (CID 28782376) is 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone is CC(=O)c1cccc(OCc2nnc(C)o2)c1.
What is the InChIKey of 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The InChIKey is JSQYKMDFMZRZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8(15)10-4-3-5-11(6-10)16-7-12-14-13-9(2)17-12/h3-6H,7H2,1-2H3.
What are the key properties of 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone has a molecular weight of 232.24 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 28782376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).