2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole

C11H10Cl2N2O2 — CID 39371989

IUPAC2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(Cl)c(OCc2nnc(CCl)o2)c1
InChIInChI=1S/C11H10Cl2N2O2/c1-7-2-3-8(13)9(4-7)16-6-11-15-14-10(5-12)17-11/h2-4H,5-6H2,1H3
InChIKeyQWSUTFQSCOADLN-UHFFFAOYSA-N
MW273.12 g/mol
LogP3.35
Rot. Bonds4

About 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole

2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 39371989) has the molecular formula C11H10Cl2N2O2 and a molecular weight of 273.12 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID39371989
Molecular FormulaC11H10Cl2N2O2
Molecular Weight273.12 g/mol
Exact Mass272.01
IUPAC Name2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
SMILESCc1ccc(Cl)c(OCc2nnc(CCl)o2)c1
InChIInChI=1S/C11H10Cl2N2O2/c1-7-2-3-8(13)9(4-7)16-6-11-15-14-10(5-12)17-11/h2-4H,5-6H2,1H3
InChIKeyQWSUTFQSCOADLN-UHFFFAOYSA-N
XLogP3.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.12
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)-5-[(2-methoxy-4-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39416021
2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
CID 39430952
2-(chloromethyl)-5-[(2-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39367364
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023
2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 39360983
2-[(2-chloro-5-nitrophenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 79484247
2-(2-chloroethyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 39442821
2-[2-(2-chloro-5-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110656079
2-chloro-5-[(2-chloro-5-methylphenoxy)methyl]pyridine
CID 43245470
[5-[(2-chloro-5-methylphenoxy)methyl]-3-methylfuran-2-yl]methanamine
CID 62484281
4-methyl-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzoic acid
CID 60651733
3-[(2-chloro-5-methylphenoxy)methyl]-1,5-dimethylpyrazole
CID 82087546

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole (CID 39371989) is 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole is Cc1ccc(Cl)c(OCc2nnc(CCl)o2)c1.
What is the InChIKey of 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is QWSUTFQSCOADLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N2O2/c1-7-2-3-8(13)9(4-7)16-6-11-15-14-10(5-12)17-11/h2-4H,5-6H2,1H3.
What are the key properties of 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole?
2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 273.12 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 39371989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).