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

C16H12Cl2N2O2 — CID 110655983

IUPAC2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1cccc(OCc2nnc(Cc3ccccc3)o2)c1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-12-7-4-8-13(16(12)18)21-10-15-20-19-14(22-15)9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyMRUMGCVTBGDOLX-UHFFFAOYSA-N
MW335.19 g/mol
LogP4.55
Rot. Bonds5

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

2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 110655983) has the molecular formula C16H12Cl2N2O2 and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
PubChem CID110655983
Molecular FormulaC16H12Cl2N2O2
Molecular Weight335.19 g/mol
Exact Mass334.03
IUPAC Name2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole
SMILESClc1cccc(OCc2nnc(Cc3ccccc3)o2)c1Cl
InChIInChI=1S/C16H12Cl2N2O2/c17-12-7-4-8-13(16(12)18)21-10-15-20-19-14(22-15)9-11-5-2-1-3-6-11/h1-8H,9-10H2
InChIKeyMRUMGCVTBGDOLX-UHFFFAOYSA-N
XLogP4.55
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655669
2-[(2,3-dichlorophenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655632
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
2-(phenoxymethyl)-5-(quinolin-8-yloxymethyl)-1,3,4-oxadiazole
CID 110656016
2-[(2-bromophenoxy)methyl]-5-(chloromethyl)-1,3,4-oxadiazole
CID 39430952
[5-[(2-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]hydrazine
CID 35754836
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzaldehyde
CID 54919221
2-[(2-chlorophenoxy)methyl]-5-cyclopropyl-1,3,4-oxadiazole
CID 5133168
2-benzyl-5-(bromomethyl)-1,3,4-oxadiazole
CID 89104418
2-[(2,5-dichlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110656023

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole (CID 110655983) is 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole is Clc1cccc(OCc2nnc(Cc3ccccc3)o2)c1Cl.
What is the InChIKey of 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is MRUMGCVTBGDOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N2O2/c17-12-7-4-8-13(16(12)18)21-10-15-20-19-14(22-15)9-11-5-2-1-3-6-11/h1-8H,9-10H2.
What are the key properties of 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole?
2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 335.19 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(2,3-dichlorophenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 110655983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).