2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole

C12H12N2O2 — CID 71944586

IUPAC2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
SMILESC=C(C)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H12N2O2/c1-9(2)7-15-11-5-3-10(4-6-11)12-14-13-8-16-12/h3-6,8H,1,7H2,2H3
InChIKeyASZINEJXXUKIRP-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.69
Rot. Bonds4

About 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole

2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole (PubChem CID 71944586) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
PubChem CID71944586
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
SMILESC=C(C)COc1ccc(-c2nnco2)cc1
InChIInChI=1S/C12H12N2O2/c1-9(2)7-15-11-5-3-10(4-6-11)12-14-13-8-16-12/h3-6,8H,1,7H2,2H3
InChIKeyASZINEJXXUKIRP-UHFFFAOYSA-N
XLogP2.69
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
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]-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 8888706
1-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7556262
N-(1-ethylpiperidin-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 37324633
N-(2-cyano-3-methylbutan-2-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42974356
N-[(4-ethylphenyl)methyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8888415
N-[4-(dimethylamino)phenyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36565038
(2R)-1-(4-fluorophenoxy)-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 97243398
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8888429

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole (CID 71944586) is 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole is C=C(C)COc1ccc(-c2nnco2)cc1.
What is the InChIKey of 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole?
The InChIKey is ASZINEJXXUKIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-9(2)7-15-11-5-3-10(4-6-11)12-14-13-8-16-12/h3-6,8H,1,7H2,2H3.
What are the key properties of 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole?
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole has a molecular weight of 216.24 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 71944586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).