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

C12H12N2O3 — CID 43394142

IUPAC1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCc1ncon1
InChIInChI=1S/C12H12N2O3/c1-8-3-4-11(10(5-8)9(2)15)16-6-12-13-7-17-14-12/h3-5,7H,6H2,1-2H3
InChIKeyACEHQVPFDAAEOZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.16
Rot. Bonds4

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

1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone (PubChem CID 43394142) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone
PubChem CID43394142
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(C)ccc1OCc1ncon1
InChIInChI=1S/C12H12N2O3/c1-8-3-4-11(10(5-8)9(2)15)16-6-12-13-7-17-14-12/h3-5,7H,6H2,1-2H3
InChIKeyACEHQVPFDAAEOZ-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

2-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 55201494
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
4-methoxy-3-(1,2,4-oxadiazol-3-ylmethoxy)benzoic acid
CID 28782613
N-methyl-1-[4-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 63639606
N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882
1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone
CID 62406948
1-[2-(4-bromobutoxy)-5-methylphenyl]ethanone
CID 43504846
3-[(3,5-dimethylphenoxy)methyl]-1,2,4-oxadiazole
CID 60701107
1-(2-but-3-ynoxy-5-methylphenyl)ethanone
CID 43504869
propan-2-yl 2-(2-acetyl-4-methylphenoxy)acetate
CID 54942552
3-methyl-5-(1,2,4-oxadiazol-3-ylmethoxy)phenol
CID 107679961
1-[5-methyl-2-[2-(2-methylpyrazol-3-yl)ethoxy]phenyl]ethanone
CID 103002738

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone?
The IUPAC name of 1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone (CID 43394142) is 1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone?
The canonical SMILES for 1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone is CC(=O)c1cc(C)ccc1OCc1ncon1.
What is the InChIKey of 1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone?
The InChIKey is ACEHQVPFDAAEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-8-3-4-11(10(5-8)9(2)15)16-6-12-13-7-17-14-12/h3-5,7H,6H2,1-2H3.
What are the key properties of 1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone?
1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)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-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone is sourced from PubChem (CID 43394142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).