2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole

C17H15ClN2O2 — CID 15090951

IUPAC2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(OC(C)c2nnc(-c3ccccc3)o2)ccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11-10-14(8-9-15(11)18)21-12(2)16-19-20-17(22-16)13-6-4-3-5-7-13/h3-10,12H,1-2H3
InChIKeyKAJHPXWPJIMTIZ-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.84
Rot. Bonds4

About 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole

2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 15090951) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID15090951
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1cc(OC(C)c2nnc(-c3ccccc3)o2)ccc1Cl
InChIInChI=1S/C17H15ClN2O2/c1-11-10-14(8-9-15(11)18)21-12(2)16-19-20-17(22-16)13-6-4-3-5-7-13/h3-10,12H,1-2H3
InChIKeyKAJHPXWPJIMTIZ-UHFFFAOYSA-N
XLogP4.84
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
CID 3061070
2-(4-fluorophenyl)-5-(1-naphthalen-2-yloxyethyl)-1,3,4-oxadiazole
CID 43913145
2-(1-methoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 118528215
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chlorobenzoate
CID 18196843
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chlorobenzoate
CID 7603572
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2,6-dichlorophenyl)acetate
CID 7604320
2-[(1S)-1-(2,5-dichlorophenoxy)ethyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 7997692
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 2-chloro-5-methylsulfonylbenzoate
CID 42894244
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2,5-dimethylfuran-3-carboxylate
CID 8939044
1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl 3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carboxylate
CID 55384274
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-chloro-4-fluorobenzoate
CID 8937352
[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 5,6-dichloropyridine-3-carboxylate
CID 8873119

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole (CID 15090951) is 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole is Cc1cc(OC(C)c2nnc(-c3ccccc3)o2)ccc1Cl.
What is the InChIKey of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is KAJHPXWPJIMTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-11-10-14(8-9-15(11)18)21-12(2)16-19-20-17(22-16)13-6-4-3-5-7-13/h3-10,12H,1-2H3.
What are the key properties of 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 314.77 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 15090951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).