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

C15H10Cl2N2O2 — CID 7611454

IUPAC5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1cccc(OCc2nc(-c3ccccc3)no2)c1Cl
InChIInChI=1S/C15H10Cl2N2O2/c16-11-7-4-8-12(14(11)17)20-9-13-18-15(19-21-13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyXNWQLEDGFPKVHM-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.62
Rot. Bonds4

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

5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 7611454) has the molecular formula C15H10Cl2N2O2 and a molecular weight of 321.16 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
PubChem CID7611454
Molecular FormulaC15H10Cl2N2O2
Molecular Weight321.16 g/mol
Exact Mass320.01
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
SMILESClc1cccc(OCc2nc(-c3ccccc3)no2)c1Cl
InChIInChI=1S/C15H10Cl2N2O2/c16-11-7-4-8-12(14(11)17)20-9-13-18-15(19-21-13)10-5-2-1-3-6-10/h1-8H,9H2
InChIKeyXNWQLEDGFPKVHM-UHFFFAOYSA-N
XLogP4.62
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(naphthalen-1-yloxymethyl)-3-phenyl-1,2,4-oxadiazole
CID 873913
3-phenyl-5-[(2-phenylphenoxy)methyl]-1,2,4-oxadiazole
CID 4795932
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 134038171
5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8515424
5-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 973552
5-[(2-chloro-4-phenylphenoxy)methyl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 18290343
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029346
2-[(2,3-dichlorophenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 17404310
methyl 2-[2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]acetate
CID 91991140
5-[(2-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718906
2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]aniline
CID 30029327
5-[(2,3-dimethylphenoxy)methyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 750800

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole (CID 7611454) is 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole is Clc1cccc(OCc2nc(-c3ccccc3)no2)c1Cl.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is XNWQLEDGFPKVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2O2/c16-11-7-4-8-12(14(11)17)20-9-13-18-15(19-21-13)10-5-2-1-3-6-10/h1-8H,9H2.
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole?
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 321.16 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 7611454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).