2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole

C16H12Cl2N2O3 — CID 110656023

IUPAC2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESClc1ccc(Cl)c(OCc2nnc(COc3ccccc3)o2)c1
InChIInChI=1S/C16H12Cl2N2O3/c17-11-6-7-13(18)14(8-11)22-10-16-20-19-15(23-16)9-21-12-4-2-1-3-5-12/h1-8H,9-10H2
InChIKeyZLIUSZDSEKPADK-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.53
Rot. Bonds6

About 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole

2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole (PubChem CID 110656023) has the molecular formula C16H12Cl2N2O3 and a molecular weight of 351.19 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
PubChem CID110656023
Molecular FormulaC16H12Cl2N2O3
Molecular Weight351.19 g/mol
Exact Mass350.02
IUPAC Name2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
SMILESClc1ccc(Cl)c(OCc2nnc(COc3ccccc3)o2)c1
InChIInChI=1S/C16H12Cl2N2O3/c17-11-6-7-13(18)14(8-11)22-10-16-20-19-15(23-16)9-21-12-4-2-1-3-5-12/h1-8H,9-10H2
InChIKeyZLIUSZDSEKPADK-UHFFFAOYSA-N
XLogP4.53
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
2,4-dichloro-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110653618
2-(phenoxymethyl)-5-[(4-phenoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 110656017
4-chloro-N-[[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(trifluoromethyl)aniline
CID 110653614
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075
2-[(2,5-dichlorophenoxy)methyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole
CID 7431819
2-(2-chloroethyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 39442821
2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39371989
3-chloro-6-[(2,5-dichlorophenoxy)methyl]pyridazine
CID 104514067
2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 110656016
2-[5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 712393
4-chloro-N-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 11078012

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole (CID 110656023) is 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole is Clc1ccc(Cl)c(OCc2nnc(COc3ccccc3)o2)c1.
What is the InChIKey of 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole?
The InChIKey is ZLIUSZDSEKPADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O3/c17-11-6-7-13(18)14(8-11)22-10-16-20-19-15(23-16)9-21-12-4-2-1-3-5-12/h1-8H,9-10H2.
What are the key properties of 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole?
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole has a molecular weight of 351.19 g/mol, XLogP of 4.53, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 110656023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).