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

C17H15ClN2O2 — CID 110656079

IUPAC2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(Cl)c(OCCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H15ClN2O2/c1-12-7-8-14(18)15(11-12)21-10-9-16-19-20-17(22-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyPAAINTLEPXLOOG-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.32
Rot. Bonds5

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

2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole (PubChem CID 110656079) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
PubChem CID110656079
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
SMILESCc1ccc(Cl)c(OCCc2nnc(-c3ccccc3)o2)c1
InChIInChI=1S/C17H15ClN2O2/c1-12-7-8-14(18)15(11-12)21-10-9-16-19-20-17(22-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3
InChIKeyPAAINTLEPXLOOG-UHFFFAOYSA-N
XLogP4.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
2-[2-(3-chlorophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656035
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(2,5-dimethylphenoxy)propanoate
CID 7856410
2-(2,4-dichlorophenoxy)ethyl 3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanoate
CID 46685633
2-[2-(4-bromophenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656038
2-phenyl-5-propyl-1,3,4-oxadiazole
CID 14949000
2-(2-chloroethyl)-5-phenyl-1,3,4-oxadiazole
CID 39242176
2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39371989
5-[2-(2-chloro-5-methylphenoxy)ethyl]-2H-tetrazole
CID 82084148
2-methoxy-5-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 18870594
2-[(2,3-dichlorophenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655632

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole (CID 110656079) is 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole is Cc1ccc(Cl)c(OCCc2nnc(-c3ccccc3)o2)c1.
What is the InChIKey of 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
The InChIKey is PAAINTLEPXLOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c1-12-7-8-14(18)15(11-12)21-10-9-16-19-20-17(22-16)13-5-3-2-4-6-13/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole?
2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole has a molecular weight of 314.77 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole is sourced from PubChem (CID 110656079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).