2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole

C16H11Cl3N2O2 — CID 176829073

IUPAC2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)o1
InChIInChI=1S/C16H11Cl3N2O2/c17-8-15-20-21-16(23-15)10-4-6-11(7-5-10)22-9-12-13(18)2-1-3-14(12)19/h1-7H,8-9H2
InChIKeySZGCWSKIGXVRSD-UHFFFAOYSA-N
MW369.64 g/mol
LogP5.36
Rot. Bonds5

About 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole

2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 176829073) has the molecular formula C16H11Cl3N2O2 and a molecular weight of 369.64 g/mol. Its IUPAC name is 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
PubChem CID176829073
Molecular FormulaC16H11Cl3N2O2
Molecular Weight369.64 g/mol
Exact Mass367.99
IUPAC Name2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole
SMILESClCc1nnc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)o1
InChIInChI=1S/C16H11Cl3N2O2/c17-8-15-20-21-16(23-15)10-4-6-11(7-5-10)22-9-12-13(18)2-1-3-14(12)19/h1-7H,8-9H2
InChIKeySZGCWSKIGXVRSD-UHFFFAOYSA-N
XLogP5.36
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.64
LogP ≤ 55.36
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

[5-[5-[(2,6-dichlorophenyl)methoxy]pyrimidin-2-yl]-1,3,4-oxadiazol-2-yl]methanol
CID 170608894
2-[(4-bromophenoxy)methyl]-1,3-dichlorobenzene
CID 925892
1,3-dichloro-2-[(4-iodophenoxy)methyl]benzene
CID 60627529
2-[(4-bromophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 18859382
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-(chloromethyl)-5-(4-isocyanophenyl)-1,3,4-oxadiazole
CID 88854660
5-[(2,6-dichlorophenyl)methoxy]-2-methylpyrimidine
CID 170608959
2-(2-chloroethyl)-5-(4-chlorophenyl)-1,3,4-oxadiazole
CID 39347323
2-(2-phenoxyethyl)-5-phenyl-1,3,4-oxadiazole
CID 110656027
2-[4-[(2,6-dichlorophenyl)methoxy]phenyl]acetonitrile
CID 28888239
2-(4-chlorophenyl)-5-(dibenzofuran-2-yloxymethyl)-1,3,4-oxadiazole
CID 7612771

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole (CID 176829073) is 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole is ClCc1nnc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2)o1.
What is the InChIKey of 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is SZGCWSKIGXVRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl3N2O2/c17-8-15-20-21-16(23-15)10-4-6-11(7-5-10)22-9-12-13(18)2-1-3-14(12)19/h1-7H,8-9H2.
What are the key properties of 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole?
2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 369.64 g/mol, XLogP of 5.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 176829073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).