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

C13H8Cl2N2O2S — CID 8515424

IUPAC5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(OCc2nc(-c3cccs3)no2)c1Cl
InChIInChI=1S/C13H8Cl2N2O2S/c14-8-3-1-4-9(12(8)15)18-7-11-16-13(17-19-11)10-5-2-6-20-10/h1-6H,7H2
InChIKeyBLEXPXDEZXRYEV-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.68
Rot. Bonds4

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

5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 8515424) has the molecular formula C13H8Cl2N2O2S and a molecular weight of 327.19 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID8515424
Molecular FormulaC13H8Cl2N2O2S
Molecular Weight327.19 g/mol
Exact Mass325.97
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESClc1cccc(OCc2nc(-c3cccs3)no2)c1Cl
InChIInChI=1S/C13H8Cl2N2O2S/c14-8-3-1-4-9(12(8)15)18-7-11-16-13(17-19-11)10-5-2-6-20-10/h1-6H,7H2
InChIKeyBLEXPXDEZXRYEV-UHFFFAOYSA-N
XLogP4.68
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 718906
5-[(2-bromophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 18775782
5-[(2-chloro-4-fluorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9138008
5-[(2-bromo-4-chlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8533692
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
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022
N-phenyl-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 18099530
3-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]pyridine-4-carboxylic acid
CID 81440001
5-[(5-methyl-2-nitrophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 36632101
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
5-(1,3-benzodioxol-5-yloxymethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 9137704

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole (CID 8515424) is 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is Clc1cccc(OCc2nc(-c3cccs3)no2)c1Cl.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is BLEXPXDEZXRYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2S/c14-8-3-1-4-9(12(8)15)18-7-11-16-13(17-19-11)10-5-2-6-20-10/h1-6H,7H2.
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole?
5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 327.19 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 8515424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).