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

C10H8Cl2N2O2 — CID 134038171

IUPAC5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H8Cl2N2O2/c1-6-13-9(16-14-6)5-15-8-4-2-3-7(11)10(8)12/h2-4H,5H2,1H3
InChIKeyGOLPHUQRNQRJDR-UHFFFAOYSA-N
MW259.09 g/mol
LogP3.26
Rot. Bonds3

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

5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 134038171) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
PubChem CID134038171
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(COc2cccc(Cl)c2Cl)n1
InChIInChI=1S/C10H8Cl2N2O2/c1-6-13-9(16-14-6)5-15-8-4-2-3-7(11)10(8)12/h2-4H,5H2,1H3
InChIKeyGOLPHUQRNQRJDR-UHFFFAOYSA-N
XLogP3.26
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 113277114
5-[(2,3-dichlorophenoxy)methyl]-3-phenyl-1,2,4-oxadiazole
CID 7611454
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 114319883
5-[(2,3-dichlorophenoxy)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 8515424
N-[[2-chloro-6-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]-2-methoxyethanamine
CID 114320180
5-[(2-ethylphenoxy)methyl]-3-methyl-1,2,4-oxadiazole
CID 60718341
1-(2,3-dichlorophenyl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 54903708
N-[[3-chloro-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methyl]ethanamine
CID 112609244
5-[(2-chlorophenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 973552
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 54930891
2-[(2,3-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655669
(1R)-1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]propan-1-ol
CID 55189160

Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole (CID 134038171) is 5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole is Cc1noc(COc2cccc(Cl)c2Cl)n1.
What is the InChIKey of 5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is GOLPHUQRNQRJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O2/c1-6-13-9(16-14-6)5-15-8-4-2-3-7(11)10(8)12/h2-4H,5H2,1H3.
What are the key properties of 5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole?
5-[(2,3-dichlorophenoxy)methyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 259.09 g/mol, XLogP of 3.26, 3 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-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 134038171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).