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

C13H14N2O3 — CID 115495260

IUPAC1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2nnc(C)o2)cc1
InChIInChI=1S/C13H14N2O3/c1-9(16)7-11-3-5-12(6-4-11)17-8-13-15-14-10(2)18-13/h3-6H,7-8H2,1-2H3
InChIKeyVOFOAIXSAQNYIB-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.09
Rot. Bonds5

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

1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one (PubChem CID 115495260) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
PubChem CID115495260
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
SMILESCC(=O)Cc1ccc(OCc2nnc(C)o2)cc1
InChIInChI=1S/C13H14N2O3/c1-9(16)7-11-3-5-12(6-4-11)17-8-13-15-14-10(2)18-13/h3-6H,7-8H2,1-2H3
InChIKeyVOFOAIXSAQNYIB-UHFFFAOYSA-N
XLogP2.09
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one
CID 115495234
2-[(4-ethoxyphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 110655535
(4-fluorophenyl)-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanone
CID 9109074
1-[6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]naphthalen-2-yl]ethanone
CID 71978689
2-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,3,4-oxadiazole
CID 60627683
1-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782376
3-[5-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]-2-pyridinyl]prop-2-enoic acid
CID 79800146
1-[4-[(4-chlorophenyl)methoxy]phenyl]propan-2-one
CID 13065274
1-[4-[(2,4,6-trimethylphenyl)methoxy]phenyl]propan-2-one
CID 115495303
1-[4-[(3,4-dichlorophenyl)methoxy]phenyl]propan-2-one
CID 115495361
1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 28782324
1-[4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]propan-2-one
CID 115495429

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one (CID 115495260) is 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one is CC(=O)Cc1ccc(OCc2nnc(C)o2)cc1.
What is the InChIKey of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one?
The InChIKey is VOFOAIXSAQNYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-9(16)7-11-3-5-12(6-4-11)17-8-13-15-14-10(2)18-13/h3-6H,7-8H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one?
1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one has a molecular weight of 246.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 115495260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).