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

C19H18N2O3 — CID 4826899

IUPAC2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COc2ccc(-c3nnco3)cc2)cc1C
InChIInChI=1S/C19H18N2O3/c1-12-8-14(3)17(9-13(12)2)18(22)10-23-16-6-4-15(5-7-16)19-21-20-11-24-19/h4-9,11H,10H2,1-3H3
InChIKeyLMOOPGWPYYRKTD-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.92
Rot. Bonds5

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

2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone (PubChem CID 4826899) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
PubChem CID4826899
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone
SMILESCc1cc(C)c(C(=O)COc2ccc(-c3nnco3)cc2)cc1C
InChIInChI=1S/C19H18N2O3/c1-12-8-14(3)17(9-13(12)2)18(22)10-23-16-6-4-15(5-7-16)19-21-20-11-24-19/h4-9,11H,10H2,1-3H3
InChIKeyLMOOPGWPYYRKTD-UHFFFAOYSA-N
XLogP3.92
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556131
1-[1-[(2S)-1-methoxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 7555994
N-methyl-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 8001302
1-(1,3-benzodioxol-5-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8528159
1-(3-bromophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]ethanone
CID 8569592
methyl 4-[2,5-dimethyl-3-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]pyrrol-1-yl]butanoate
CID 8569543
2-[4-(2-methylprop-2-enoxy)phenyl]-1,3,4-oxadiazole
CID 71944586
ethyl 2,5-dimethyl-4-[2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetyl]-1H-pyrrole-3-carboxylate
CID 7555934
[4-(1,3,4-oxadiazol-2-yl)phenyl] 2-(4-chloro-3-methylphenoxy)acetate
CID 7984861
N-(4,5-dimethyl-2-nitrophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556246
N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555932
N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556162

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone?
The IUPAC name of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone (CID 4826899) is 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone.
What is the SMILES notation for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone?
The canonical SMILES for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone is Cc1cc(C)c(C(=O)COc2ccc(-c3nnco3)cc2)cc1C.
What is the InChIKey of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone?
The InChIKey is LMOOPGWPYYRKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-12-8-14(3)17(9-13(12)2)18(22)10-23-16-6-4-15(5-7-16)19-21-20-11-24-19/h4-9,11H,10H2,1-3H3.
What are the key properties of 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone?
2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone has a molecular weight of 322.36 g/mol, XLogP of 3.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]-1-(2,4,5-trimethylphenyl)ethanone is sourced from PubChem (CID 4826899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).